6-fluoro-N-(2-hydroxy-4-nitrophenyl)-2-methylquinoline-4-carboxamide

C17H12FN3O4 — CID 108802569

IUPAC6-fluoro-N-(2-hydroxy-4-nitrophenyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2O)c2cc(F)ccc2n1
InChIInChI=1S/C17H12FN3O4/c1-9-6-13(12-7-10(18)2-4-14(12)19-9)17(23)20-15-5-3-11(21(24)25)8-16(15)22/h2-8,22H,1H3,(H,20,23)
InChIKeyCQNPOGINFOPBTA-UHFFFAOYSA-N
MW341.30 g/mol
LogP3.55
Rot. Bonds3

About 6-fluoro-N-(2-hydroxy-4-nitrophenyl)-2-methylquinoline-4-carboxamide

6-fluoro-N-(2-hydroxy-4-nitrophenyl)-2-methylquinoline-4-carboxamide (PubChem CID 108802569) has the molecular formula C17H12FN3O4 and a molecular weight of 341.30 g/mol. Its IUPAC name is 6-fluoro-N-(2-hydroxy-4-nitrophenyl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-hydroxy-4-nitrophenyl)-2-methylquinoline-4-carboxamide
PubChem CID108802569
Molecular FormulaC17H12FN3O4
Molecular Weight341.30 g/mol
Exact Mass341.08
IUPAC Name6-fluoro-N-(2-hydroxy-4-nitrophenyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2O)c2cc(F)ccc2n1
InChIInChI=1S/C17H12FN3O4/c1-9-6-13(12-7-10(18)2-4-14(12)19-9)17(23)20-15-5-3-11(21(24)25)8-16(15)22/h2-8,22H,1H3,(H,20,23)
InChIKeyCQNPOGINFOPBTA-UHFFFAOYSA-N
XLogP3.55
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-fluoro-N-(2-hydroxy-4-nitrophenyl)-2-methylquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-N-(2-hydroxy-5-nitrophenyl)-2-methylquinoline-4-carboxamide
CID 108789694
6-fluoro-N-(2-methoxy-5-nitrophenyl)-2-methylquinoline-4-carboxamide
CID 108789696
2,4-difluoro-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 108808620
2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]-5-iodobenzoic acid
CID 108789589
2-methyl-6-nitroquinoline-4-carboxylic acid
CID 16637250
5-bromo-2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzoic acid
CID 108789645
6-fluoro-N-(3-hydroxyphenyl)-2-methylquinoline-4-carboxamide
CID 108789542
2-methyl-6-nitro-N-propylquinoline-4-carboxamide
CID 110489389
2,6-dimethyl-N-[4-(4-nitrophenyl)sulfonylphenyl]quinoline-4-carboxamide
CID 29195167
2-methyl-6-nitroquinoline-4-carboxamide
CID 22397065
6-fluoro-2-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4732250
2,3-difluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide
CID 107743968

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-hydroxy-4-nitrophenyl)-2-methylquinoline-4-carboxamide?
The IUPAC name of 6-fluoro-N-(2-hydroxy-4-nitrophenyl)-2-methylquinoline-4-carboxamide (CID 108802569) is 6-fluoro-N-(2-hydroxy-4-nitrophenyl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-hydroxy-4-nitrophenyl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-hydroxy-4-nitrophenyl)-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2O)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-N-(2-hydroxy-4-nitrophenyl)-2-methylquinoline-4-carboxamide?
The InChIKey is CQNPOGINFOPBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O4/c1-9-6-13(12-7-10(18)2-4-14(12)19-9)17(23)20-15-5-3-11(21(24)25)8-16(15)22/h2-8,22H,1H3,(H,20,23).
What are the key properties of 6-fluoro-N-(2-hydroxy-4-nitrophenyl)-2-methylquinoline-4-carboxamide?
6-fluoro-N-(2-hydroxy-4-nitrophenyl)-2-methylquinoline-4-carboxamide has a molecular weight of 341.30 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-hydroxy-4-nitrophenyl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 108802569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).