1-(quinoline-4-carbonylamino)cyclopentane-1-carboxylic acid

C16H16N2O3 — CID 112726709

IUPAC1-(quinoline-4-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1ccnc2ccccc12
InChIInChI=1S/C16H16N2O3/c19-14(18-16(15(20)21)8-3-4-9-16)12-7-10-17-13-6-2-1-5-11(12)13/h1-2,5-7,10H,3-4,8-9H2,(H,18,19)(H,20,21)
InChIKeyVXVXSQBXXXEFCW-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.36
Rot. Bonds3

About 1-(quinoline-4-carbonylamino)cyclopentane-1-carboxylic acid

1-(quinoline-4-carbonylamino)cyclopentane-1-carboxylic acid (PubChem CID 112726709) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-(quinoline-4-carbonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(quinoline-4-carbonylamino)cyclopentane-1-carboxylic acid
PubChem CID112726709
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name1-(quinoline-4-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1ccnc2ccccc12
InChIInChI=1S/C16H16N2O3/c19-14(18-16(15(20)21)8-3-4-9-16)12-7-10-17-13-6-2-1-5-11(12)13/h1-2,5-7,10H,3-4,8-9H2,(H,18,19)(H,20,21)
InChIKeyVXVXSQBXXXEFCW-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclopentyl)quinoline-4-carboxamide
CID 112722770
1-[(quinoline-4-carbonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115449424
N-[[1-(aminomethyl)cyclopentyl]methyl]quinoline-4-carboxamide
CID 115365406
1-[(2-methylsulfanylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43351170
N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]quinoline-4-carboxamide
CID 11516293
1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341683
1-[(3-fluoropyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 64950656
1-(quinolin-4-ylmethyl)cycloheptane-1-carboxylic acid
CID 79423213
1-(quinoline-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 22712404
1-[(4-chloroquinoline-2-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81165272
1-[(1-methylindole-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120538552
1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81164018

Frequently Asked Questions

What is the IUPAC name of 1-(quinoline-4-carbonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(quinoline-4-carbonylamino)cyclopentane-1-carboxylic acid (CID 112726709) is 1-(quinoline-4-carbonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(quinoline-4-carbonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(quinoline-4-carbonylamino)cyclopentane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCC1)c1ccnc2ccccc12.
What is the InChIKey of 1-(quinoline-4-carbonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is VXVXSQBXXXEFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-14(18-16(15(20)21)8-3-4-9-16)12-7-10-17-13-6-2-1-5-11(12)13/h1-2,5-7,10H,3-4,8-9H2,(H,18,19)(H,20,21).
What are the key properties of 1-(quinoline-4-carbonylamino)cyclopentane-1-carboxylic acid?
1-(quinoline-4-carbonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinoline-4-carbonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 112726709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).