6-fluoro-N-(3-hydroxyphenyl)-2-methylquinoline-4-carboxamide

C17H13FN2O2 — CID 108789542

IUPAC6-fluoro-N-(3-hydroxyphenyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(O)c2)c2cc(F)ccc2n1
InChIInChI=1S/C17H13FN2O2/c1-10-7-15(14-8-11(18)5-6-16(14)19-10)17(22)20-12-3-2-4-13(21)9-12/h2-9,21H,1H3,(H,20,22)
InChIKeyPKJJUZBLLYKLAI-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.64
Rot. Bonds2

About 6-fluoro-N-(3-hydroxyphenyl)-2-methylquinoline-4-carboxamide

6-fluoro-N-(3-hydroxyphenyl)-2-methylquinoline-4-carboxamide (PubChem CID 108789542) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is 6-fluoro-N-(3-hydroxyphenyl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(3-hydroxyphenyl)-2-methylquinoline-4-carboxamide
PubChem CID108789542
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name6-fluoro-N-(3-hydroxyphenyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(O)c2)c2cc(F)ccc2n1
InChIInChI=1S/C17H13FN2O2/c1-10-7-15(14-8-11(18)5-6-16(14)19-10)17(22)20-12-3-2-4-13(21)9-12/h2-9,21H,1H3,(H,20,22)
InChIKeyPKJJUZBLLYKLAI-UHFFFAOYSA-N
XLogP3.64
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-2-methyl-N'-phenylquinoline-4-carbohydrazide
CID 4732291
6-fluoro-2-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4732250
N-(3-acetylphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
CID 46422715
2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]-5-iodobenzoic acid
CID 108789589
dimethyl 5-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate
CID 4732272
5-bromo-2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzoic acid
CID 108789645
6-fluoro-2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]quinoline-4-carboxamide
CID 131889668
6-fluoro-N'-(4-fluorobenzoyl)-2-methylquinoline-4-carbohydrazide
CID 4732337
6-fluoro-2-methyl-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide
CID 108802559
N-(2-chloro-4,6-dimethylphenyl)-6-fluoro-2-methylquinoline-4-carboxamide
CID 108789682
6-fluoro-2-methyl-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4732260
6-fluoro-2-methyl-N'-(2-phenylacetyl)quinoline-4-carbohydrazide
CID 4732359

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-hydroxyphenyl)-2-methylquinoline-4-carboxamide?
The IUPAC name of 6-fluoro-N-(3-hydroxyphenyl)-2-methylquinoline-4-carboxamide (CID 108789542) is 6-fluoro-N-(3-hydroxyphenyl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-(3-hydroxyphenyl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-N-(3-hydroxyphenyl)-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)Nc2cccc(O)c2)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-N-(3-hydroxyphenyl)-2-methylquinoline-4-carboxamide?
The InChIKey is PKJJUZBLLYKLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-10-7-15(14-8-11(18)5-6-16(14)19-10)17(22)20-12-3-2-4-13(21)9-12/h2-9,21H,1H3,(H,20,22).
What are the key properties of 6-fluoro-N-(3-hydroxyphenyl)-2-methylquinoline-4-carboxamide?
6-fluoro-N-(3-hydroxyphenyl)-2-methylquinoline-4-carboxamide has a molecular weight of 296.30 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3-hydroxyphenyl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 108789542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).