3-(quinolin-6-ylcarbamoyl)cyclopentane-1-carboxylic acid

C16H16N2O3 — CID 103550679

IUPAC3-(quinolin-6-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2ccc3ncccc3c2)C1
InChIInChI=1S/C16H16N2O3/c19-15(11-3-4-12(8-11)16(20)21)18-13-5-6-14-10(9-13)2-1-7-17-14/h1-2,5-7,9,11-12H,3-4,8H2,(H,18,19)(H,20,21)
InChIKeyJBZCBKOGQJFZKC-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.67
Rot. Bonds3

About 3-(quinolin-6-ylcarbamoyl)cyclopentane-1-carboxylic acid

3-(quinolin-6-ylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 103550679) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-(quinolin-6-ylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(quinolin-6-ylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID103550679
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name3-(quinolin-6-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2ccc3ncccc3c2)C1
InChIInChI=1S/C16H16N2O3/c19-15(11-3-4-12(8-11)16(20)21)18-13-5-6-14-10(9-13)2-1-7-17-14/h1-2,5-7,9,11-12H,3-4,8H2,(H,18,19)(H,20,21)
InChIKeyJBZCBKOGQJFZKC-UHFFFAOYSA-N
XLogP2.67
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-quinolin-6-ylcyclopentane-1-carboxamide;dihydrochloride
CID 119842997
3-(quinolin-6-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 3173103
cis-(1R,3S)-5-[[1-oxo-3-phenyl-1-(quinolin-6-ylamino)propan-2-yl]carbamoyl]cyclohexane-1,3-dicarboxylic acid
CID 143048099
4-methyl-N-quinolin-6-ylpiperidine-2-carboxamide
CID 114423932
2,2-dimethyl-3-(quinolin-6-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64835821
4-amino-N-quinolin-6-ylcyclopent-2-ene-1-carboxamide
CID 79207327
N-quinolin-6-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640170
N-quinolin-6-ylbenzamide
CID 833617
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
3-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549960
1-(2,4-dimethylphenyl)sulfonyl-N-quinolin-6-ylpiperidine-4-carboxamide
CID 71540947
3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549836

Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-6-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(quinolin-6-ylcarbamoyl)cyclopentane-1-carboxylic acid (CID 103550679) is 3-(quinolin-6-ylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(quinolin-6-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(quinolin-6-ylcarbamoyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(C(=O)Nc2ccc3ncccc3c2)C1.
What is the InChIKey of 3-(quinolin-6-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is JBZCBKOGQJFZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-15(11-3-4-12(8-11)16(20)21)18-13-5-6-14-10(9-13)2-1-7-17-14/h1-2,5-7,9,11-12H,3-4,8H2,(H,18,19)(H,20,21).
What are the key properties of 3-(quinolin-6-ylcarbamoyl)cyclopentane-1-carboxylic acid?
3-(quinolin-6-ylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-6-ylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).