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

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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).