2-oxo-N-[(3S)-pyrrolidin-3-yl]-1H-quinoline-4-carboxamide

C14H15N3O2 — CID 79687976

IUPAC2-oxo-N-[(3S)-pyrrolidin-3-yl]-1H-quinoline-4-carboxamide
SMILESO=C(N[C@H]1CCNC1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C14H15N3O2/c18-13-7-11(10-3-1-2-4-12(10)17-13)14(19)16-9-5-6-15-8-9/h1-4,7,9,15H,5-6,8H2,(H,16,19)(H,17,18)/t9-/m0/s1
InChIKeyKIXPARALZQFLHP-VIFPVBQESA-N
MW257.29 g/mol
LogP0.62
Rot. Bonds2

About 2-oxo-N-[(3S)-pyrrolidin-3-yl]-1H-quinoline-4-carboxamide

2-oxo-N-[(3S)-pyrrolidin-3-yl]-1H-quinoline-4-carboxamide (PubChem CID 79687976) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-oxo-N-[(3S)-pyrrolidin-3-yl]-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(3S)-pyrrolidin-3-yl]-1H-quinoline-4-carboxamide
PubChem CID79687976
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-oxo-N-[(3S)-pyrrolidin-3-yl]-1H-quinoline-4-carboxamide
SMILESO=C(N[C@H]1CCNC1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C14H15N3O2/c18-13-7-11(10-3-1-2-4-12(10)17-13)14(19)16-9-5-6-15-8-9/h1-4,7,9,15H,5-6,8H2,(H,16,19)(H,17,18)/t9-/m0/s1
InChIKeyKIXPARALZQFLHP-VIFPVBQESA-N
XLogP0.62
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 10086797
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119457477
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 94694746
7-fluoro-2-oxo-N-piperidin-3-yl-1H-quinoline-4-carboxamide;hydrochloride
CID 119425856
7-fluoro-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide
CID 119387295
6-bromo-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide
CID 119388268
N-(2-methylpiperidin-3-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 114695048
trans-(1S,2S)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 124703895
N-(2-aminocyclohexyl)-2-oxo-1H-quinoline-4-carboxamide
CID 61038006
N-[(2R,4S)-2-cyclopropyloxan-4-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 97308523
2-oxo-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-1H-quinoline-4-carboxamide
CID 25475206
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 72927897

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(3S)-pyrrolidin-3-yl]-1H-quinoline-4-carboxamide?
The IUPAC name of 2-oxo-N-[(3S)-pyrrolidin-3-yl]-1H-quinoline-4-carboxamide (CID 79687976) is 2-oxo-N-[(3S)-pyrrolidin-3-yl]-1H-quinoline-4-carboxamide.
What is the SMILES notation for 2-oxo-N-[(3S)-pyrrolidin-3-yl]-1H-quinoline-4-carboxamide?
The canonical SMILES for 2-oxo-N-[(3S)-pyrrolidin-3-yl]-1H-quinoline-4-carboxamide is O=C(N[C@H]1CCNC1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 2-oxo-N-[(3S)-pyrrolidin-3-yl]-1H-quinoline-4-carboxamide?
The InChIKey is KIXPARALZQFLHP-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15N3O2/c18-13-7-11(10-3-1-2-4-12(10)17-13)14(19)16-9-5-6-15-8-9/h1-4,7,9,15H,5-6,8H2,(H,16,19)(H,17,18)/t9-/m0/s1.
What are the key properties of 2-oxo-N-[(3S)-pyrrolidin-3-yl]-1H-quinoline-4-carboxamide?
2-oxo-N-[(3S)-pyrrolidin-3-yl]-1H-quinoline-4-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(3S)-pyrrolidin-3-yl]-1H-quinoline-4-carboxamide is sourced from PubChem (CID 79687976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).