N-[1-(hydroxymethyl)cyclopentyl]-4-oxo-1H-quinoline-3-carboxamide

C16H18N2O3 — CID 62519123

IUPACN-[1-(hydroxymethyl)cyclopentyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NC1(CO)CCCC1)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C16H18N2O3/c19-10-16(7-3-4-8-16)18-15(21)12-9-17-13-6-2-1-5-11(13)14(12)20/h1-2,5-6,9,19H,3-4,7-8,10H2,(H,17,20)(H,18,21)
InChIKeyLATOESVICFAYCJ-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.56
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclopentyl]-4-oxo-1H-quinoline-3-carboxamide

N-[1-(hydroxymethyl)cyclopentyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 62519123) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID62519123
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NC1(CO)CCCC1)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C16H18N2O3/c19-10-16(7-3-4-8-16)18-15(21)12-9-17-13-6-2-1-5-11(13)14(12)20/h1-2,5-6,9,19H,3-4,7-8,10H2,(H,17,20)(H,18,21)
InChIKeyLATOESVICFAYCJ-UHFFFAOYSA-N
XLogP1.56
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[1-(hydroxymethyl)cyclopentyl]-4-oxo-1H-quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(hydroxymethyl)cyclohexyl]-1H-indole-3-carboxamide
CID 62520393
N-[1-(hydroxymethyl)cyclobutyl]-1H-indole-3-carboxamide
CID 115878291
N-[1-(hydroxymethyl)cyclopentyl]-2-oxo-1H-quinoline-4-carboxamide
CID 62517694
N-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 87017576
N-[1-(hydroxymethyl)cyclobutyl]-1H-indole-4-carboxamide
CID 115878331
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 107866584
N-cyano-4-oxo-1H-quinoline-3-carboxamide
CID 79195085
N-(1-methylcyclopropyl)-1H-indole-3-carboxamide
CID 115634491
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 79252594
N-[(1R,2R)-2-hydroxycyclohexyl]-4-oxo-1H-quinoline-3-carboxamide
CID 104927982
N-[(3-methyloxetan-3-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 78957665
N-[1-(hydroxymethyl)cyclohexyl]-2-(propan-2-ylamino)benzamide
CID 63108494

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-4-oxo-1H-quinoline-3-carboxamide (CID 62519123) is N-[1-(hydroxymethyl)cyclopentyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-4-oxo-1H-quinoline-3-carboxamide is O=C(NC1(CO)CCCC1)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is LATOESVICFAYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-10-16(7-3-4-8-16)18-15(21)12-9-17-13-6-2-1-5-11(13)14(12)20/h1-2,5-6,9,19H,3-4,7-8,10H2,(H,17,20)(H,18,21).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-4-oxo-1H-quinoline-3-carboxamide?
N-[1-(hydroxymethyl)cyclopentyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 62519123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).