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

C16H19NO3 — CID 117435901

IUPAC1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclohexane-1-carboxylic acid
SMILESO=C1CCc2ccc(C3(C(=O)O)CCCCC3)cc2N1
InChIInChI=1S/C16H19NO3/c18-14-7-5-11-4-6-12(10-13(11)17-14)16(15(19)20)8-2-1-3-9-16/h4,6,10H,1-3,5,7-9H2,(H,17,18)(H,19,20)
InChIKeyFXGOWIFXJYZXJM-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.86
Rot. Bonds2

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

1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclohexane-1-carboxylic acid (PubChem CID 117435901) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclohexane-1-carboxylic acid
PubChem CID117435901
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclohexane-1-carboxylic acid
SMILESO=C1CCc2ccc(C3(C(=O)O)CCCCC3)cc2N1
InChIInChI=1S/C16H19NO3/c18-14-7-5-11-4-6-12(10-13(11)17-14)16(15(19)20)8-2-1-3-9-16/h4,6,10H,1-3,5,7-9H2,(H,17,18)(H,19,20)
InChIKeyFXGOWIFXJYZXJM-UHFFFAOYSA-N
XLogP2.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117047079
1-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)cyclopentane-1-carboxylic acid
CID 117401838
1-(3,3-dimethyl-2-oxo-1H-indol-5-yl)cyclohexane-1-carboxylic acid
CID 117463774
1-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclohexane-1-carboxamide
CID 119326456
2-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetic acid
CID 59398387
1-(3,4-dihydro-2H-thiochromen-6-yl)cyclohexane-1-carboxylic acid
CID 117443077
1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexane-1-carboxylic acid
CID 117367919
1-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)cyclobutane-1-carboxylic acid
CID 117401868
1-(3,4-diethylphenyl)cyclohexane-1-carboxylic acid
CID 117405456
1-(2-oxo-1,3-dihydroindol-4-yl)cyclohexane-1-carboxylic acid
CID 117401862
1-(3-oxo-2-propan-2-yl-1H-isoindol-5-yl)cyclohexane-1-carboxylic acid
CID 117485619
1-(1H-indol-6-yl)cyclopentane-1-carboxylic acid
CID 82618762

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclohexane-1-carboxylic acid (CID 117435901) is 1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclohexane-1-carboxylic acid is O=C1CCc2ccc(C3(C(=O)O)CCCCC3)cc2N1.
What is the InChIKey of 1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclohexane-1-carboxylic acid?
The InChIKey is FXGOWIFXJYZXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-14-7-5-11-4-6-12(10-13(11)17-14)16(15(19)20)8-2-1-3-9-16/h4,6,10H,1-3,5,7-9H2,(H,17,18)(H,19,20).
What are the key properties of 1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclohexane-1-carboxylic acid?
1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclohexane-1-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117435901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).