5-fluoro-8-methoxy-7-nitroquinoline

C10H7FN2O3 — CID 166150140

IUPAC5-fluoro-8-methoxy-7-nitroquinoline
SMILESCOc1c([N+](=O)[O-])cc(F)c2cccnc12
InChIInChI=1S/C10H7FN2O3/c1-16-10-8(13(14)15)5-7(11)6-3-2-4-12-9(6)10/h2-5H,1H3
InChIKeyZZQODETVVZPQGS-UHFFFAOYSA-N
MW222.18 g/mol
LogP2.29
Rot. Bonds2

About 5-fluoro-8-methoxy-7-nitroquinoline

5-fluoro-8-methoxy-7-nitroquinoline (PubChem CID 166150140) has the molecular formula C10H7FN2O3 and a molecular weight of 222.18 g/mol. Its IUPAC name is 5-fluoro-8-methoxy-7-nitroquinoline.

Molecular Properties

Compound Name5-fluoro-8-methoxy-7-nitroquinoline
PubChem CID166150140
Molecular FormulaC10H7FN2O3
Molecular Weight222.18 g/mol
Exact Mass222.04
IUPAC Name5-fluoro-8-methoxy-7-nitroquinoline
SMILESCOc1c([N+](=O)[O-])cc(F)c2cccnc12
InChIInChI=1S/C10H7FN2O3/c1-16-10-8(13(14)15)5-7(11)6-3-2-4-12-9(6)10/h2-5H,1H3
InChIKeyZZQODETVVZPQGS-UHFFFAOYSA-N
XLogP2.29
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(7-fluoro-5-nitroquinolin-8-yl)oxypropan-1-amine
CID 83166049
N-(3,5-difluoro-4-methoxyphenyl)-3-nitropyridin-2-amine
CID 47059552
8-(2-bromo-3-methoxypropyl)-7-fluoro-5-nitroquinoline
CID 83166218
8-methoxy-5-nitroquinoline;nitric acid
CID 17380294
3-(7-fluoro-5-nitroquinolin-8-yl)-4-methylpentan-2-ol
CID 83164695
N'-(7-fluoro-5-nitroquinolin-8-yl)-N'-methylethane-1,2-diamine
CID 83165215
1-(7-fluoro-5-nitroquinolin-8-yl)-N-methylpropan-2-amine
CID 83163979
3-(7-fluoro-5-nitroquinolin-8-yl)sulfanylbutan-2-ol
CID 107771097
2-[(7-fluoro-5-nitroquinolin-8-yl)-methylamino]ethanol
CID 83164329
N-but-3-yn-2-yl-7-fluoro-5-nitroquinolin-8-amine
CID 114418109
N-butyl-7-fluoro-5-nitroquinolin-8-amine
CID 83165198
7-fluoro-N-(2-methylbut-3-yn-2-yl)-5-nitroquinolin-8-amine
CID 83163974

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-8-methoxy-7-nitroquinoline?
The IUPAC name of 5-fluoro-8-methoxy-7-nitroquinoline (CID 166150140) is 5-fluoro-8-methoxy-7-nitroquinoline.
What is the SMILES notation for 5-fluoro-8-methoxy-7-nitroquinoline?
The canonical SMILES for 5-fluoro-8-methoxy-7-nitroquinoline is COc1c([N+](=O)[O-])cc(F)c2cccnc12.
What is the InChIKey of 5-fluoro-8-methoxy-7-nitroquinoline?
The InChIKey is ZZQODETVVZPQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O3/c1-16-10-8(13(14)15)5-7(11)6-3-2-4-12-9(6)10/h2-5H,1H3.
What are the key properties of 5-fluoro-8-methoxy-7-nitroquinoline?
5-fluoro-8-methoxy-7-nitroquinoline has a molecular weight of 222.18 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-8-methoxy-7-nitroquinoline is sourced from PubChem (CID 166150140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).