1-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid

C18H19FN2O3 — CID 75402965

IUPAC1-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C(=O)NC2(C(=O)O)CCCCC2)c2ccc(F)cc2n1
InChIInChI=1S/C18H19FN2O3/c1-11-9-14(13-6-5-12(19)10-15(13)20-11)16(22)21-18(17(23)24)7-3-2-4-8-18/h5-6,9-10H,2-4,7-8H2,1H3,(H,21,22)(H,23,24)
InChIKeySQSWDPWSJKOJRR-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.20
Rot. Bonds3

About 1-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 75402965) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 1-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID75402965
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name1-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C(=O)NC2(C(=O)O)CCCCC2)c2ccc(F)cc2n1
InChIInChI=1S/C18H19FN2O3/c1-11-9-14(13-6-5-12(19)10-15(13)20-11)16(22)21-18(17(23)24)7-3-2-4-8-18/h5-6,9-10H,2-4,7-8H2,1H3,(H,21,22)(H,23,24)
InChIKeySQSWDPWSJKOJRR-UHFFFAOYSA-N
XLogP3.20
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide
CID 46409117
1-[(2,4-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 24708713
1-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 107013377
1-[(2,4-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329545
1-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 61158524
7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylquinoline-4-carboxamide
CID 111486130
1-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 56811893
N-(3-acetylphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
CID 46422715
1-[(2,6-dimethylquinoline-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 122135248
1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341683
7-fluoro-2-methyl-N-(3-methylsulfanylcyclohexyl)quinoline-4-carboxamide
CID 86965984
7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylquinoline-4-carboxamide
CID 111661805

Frequently Asked Questions

What is the IUPAC name of 1-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 75402965) is 1-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid is Cc1cc(C(=O)NC2(C(=O)O)CCCCC2)c2ccc(F)cc2n1.
What is the InChIKey of 1-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is SQSWDPWSJKOJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-11-9-14(13-6-5-12(19)10-15(13)20-11)16(22)21-18(17(23)24)7-3-2-4-8-18/h5-6,9-10H,2-4,7-8H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 1-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 330.36 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 75402965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).