3-Nitroquinoline
TL;DR: 3-Nitroquinoline (CAS 17576-53-3) is a chemical compound with molecular formula C9H6N2O2 and molecular weight 174.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitroquinoline
Also Known As: 3-Nitroquinoline, Quinoline, 3-nitro-, 3-nitro-quinoline, NITROQUINOLINE, Quinoline, nitro-
| Molecular Formula | C9H6N2O2 |
|---|---|
| Molecular Weight | 174.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 58.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.04292 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 17576-53-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C=N2)[N+](=O)[O-] |
| InChIKey | ZXVRNZRQQRBDLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitroquinoline (CAS 17576-53-3), with molecular formula C9H6N2O2 and molecular weight 174.04 g/mol. IUPAC: 3-nitroquinoline.
Chemical Property Profile of 3-Nitroquinoline
Property Insights of 3-Nitroquinoline
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitroquinoline. With a topological polar surface area (TPSA) of 58.7 Ų, 3-Nitroquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Nitroquinoline has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Nitroquinoline?
The CAS number of 3-Nitroquinoline is 17576-53-3.
What is the molecular formula of 3-Nitroquinoline?
The molecular formula of 3-Nitroquinoline is C9H6N2O2.
What is the molecular weight of 3-Nitroquinoline?
The molecular weight of 3-Nitroquinoline is 174.04 g/mol.
Where can I buy 3-Nitroquinoline?
You can request a quote for 3-Nitroquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitroquinoline?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitroquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.