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

C17H20N2O4 — CID 91962370

IUPAC2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C1CCc2ccc(NC(=O)C3CCCCC3C(=O)O)cc2N1
InChIInChI=1S/C17H20N2O4/c20-15-8-6-10-5-7-11(9-14(10)19-15)18-16(21)12-3-1-2-4-13(12)17(22)23/h5,7,9,12-13H,1-4,6,8H2,(H,18,21)(H,19,20)(H,22,23)
InChIKeyVDXNAWZSCMHEQV-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.40
Rot. Bonds3

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

2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 91962370) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID91962370
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C1CCc2ccc(NC(=O)C3CCCCC3C(=O)O)cc2N1
InChIInChI=1S/C17H20N2O4/c20-15-8-6-10-5-7-11(9-14(10)19-15)18-16(21)12-3-1-2-4-13(12)17(22)23/h5,7,9,12-13H,1-4,6,8H2,(H,18,21)(H,19,20)(H,22,23)
InChIKeyVDXNAWZSCMHEQV-UHFFFAOYSA-N
XLogP2.40
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)piperidine-4-carboxamide;hydrochloride
CID 119326443
N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119326437
2-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119708958
2-[(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 56730180
trans-(1R,2R)-2-[(3,4-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 763889
N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)morpholine-2-carboxamide
CID 119788439
1-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclohexane-1-carboxamide
CID 119326456
(4aR,7aS)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 97048352
trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609
N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyridazine-4-carboxamide
CID 145472242
cis-(1S,2R)-2-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 7312287
2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopentane-1-carboxamide
CID 107180778

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)carbamoyl]cyclohexane-1-carboxylic acid (CID 91962370) is 2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)carbamoyl]cyclohexane-1-carboxylic acid is O=C1CCc2ccc(NC(=O)C3CCCCC3C(=O)O)cc2N1.
What is the InChIKey of 2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is VDXNAWZSCMHEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c20-15-8-6-10-5-7-11(9-14(10)19-15)18-16(21)12-3-1-2-4-13(12)17(22)23/h5,7,9,12-13H,1-4,6,8H2,(H,18,21)(H,19,20)(H,22,23).
What are the key properties of 2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 91962370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).