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

C17H19N3O2 — CID 94694746

IUPACN-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(N[C@H]1CCN(C2CC2)C1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H19N3O2/c21-16-9-14(13-3-1-2-4-15(13)19-16)17(22)18-11-7-8-20(10-11)12-5-6-12/h1-4,9,11-12H,5-8,10H2,(H,18,22)(H,19,21)/t11-/m0/s1
InChIKeyRTXRWBORHWGMBQ-NSHDSACASA-N
MW297.36 g/mol
LogP1.49
Rot. Bonds3

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

N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 94694746) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID94694746
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(N[C@H]1CCN(C2CC2)C1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H19N3O2/c21-16-9-14(13-3-1-2-4-15(13)19-16)17(22)18-11-7-8-20(10-11)12-5-6-12/h1-4,9,11-12H,5-8,10H2,(H,18,22)(H,19,21)/t11-/m0/s1
InChIKeyRTXRWBORHWGMBQ-NSHDSACASA-N
XLogP1.49
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10086797
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CID 79687976
N-(1-cyclohexylpyrrolidin-3-yl)-1H-indole-3-carboxamide
CID 167818595
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119457477
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 38208260
N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 52910543
N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 91631981
N-(2-aminocyclohexyl)-2-oxo-1H-quinoline-4-carboxamide
CID 61038006
trans-(1S,2S)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 124703895
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-(2-methylpiperidin-3-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 114695048

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide (CID 94694746) is N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide is O=C(N[C@H]1CCN(C2CC2)C1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is RTXRWBORHWGMBQ-NSHDSACASA-N. The full InChI is InChI=1S/C17H19N3O2/c21-16-9-14(13-3-1-2-4-15(13)19-16)17(22)18-11-7-8-20(10-11)12-5-6-12/h1-4,9,11-12H,5-8,10H2,(H,18,22)(H,19,21)/t11-/m0/s1.
What are the key properties of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide?
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 94694746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).