4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid

C17H19FN2O4 — CID 120674429

IUPAC4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C1CCc2cc(NC(=O)C3CCC(C(=O)O)CC3)c(F)cc2N1
InChIInChI=1S/C17H19FN2O4/c18-12-8-13-11(5-6-15(21)19-13)7-14(12)20-16(22)9-1-3-10(4-2-9)17(23)24/h7-10H,1-6H2,(H,19,21)(H,20,22)(H,23,24)
InChIKeyKPXIOYWEWASKSB-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.54
Rot. Bonds3

About 4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid

4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120674429) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is 4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120674429
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Name4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C1CCc2cc(NC(=O)C3CCC(C(=O)O)CC3)c(F)cc2N1
InChIInChI=1S/C17H19FN2O4/c18-12-8-13-11(5-6-15(21)19-13)7-14(12)20-16(22)9-1-3-10(4-2-9)17(23)24/h7-10H,1-6H2,(H,19,21)(H,20,22)(H,23,24)
InChIKeyKPXIOYWEWASKSB-UHFFFAOYSA-N
XLogP2.54
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

3-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclopentane-1-carboxamide
CID 66009357
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)piperidine-3-carboxamide
CID 43709579
N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)azocane-1-carboxamide
CID 99584722
(Z)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-methylbut-2-enamide
CID 86801882
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylpyrrolidine-2-carboxamide
CID 102778058
N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 126794474
1-(2,3-dihydro-1H-inden-2-yl)-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
CID 86802588
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1,3-thiazolidine-4-carboxamide
CID 43709593
1-[(2,5-difluorophenyl)methyl]-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
CID 99585344
2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide;hydrochloride
CID 119293005
1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113130
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 43453281

Frequently Asked Questions

What is the IUPAC name of 4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid (CID 120674429) is 4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid is O=C1CCc2cc(NC(=O)C3CCC(C(=O)O)CC3)c(F)cc2N1.
What is the InChIKey of 4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is KPXIOYWEWASKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4/c18-12-8-13-11(5-6-15(21)19-13)7-14(12)20-16(22)9-1-3-10(4-2-9)17(23)24/h7-10H,1-6H2,(H,19,21)(H,20,22)(H,23,24).
What are the key properties of 4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 334.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120674429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).