2-(3-hydroxypyrrolidin-1-yl)-N-phenylquinoline-4-carboxamide

C20H19N3O2 — CID 22146674

IUPAC2-(3-hydroxypyrrolidin-1-yl)-N-phenylquinoline-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(N2CCC(O)C2)nc2ccccc12
InChIInChI=1S/C20H19N3O2/c24-15-10-11-23(13-15)19-12-17(16-8-4-5-9-18(16)22-19)20(25)21-14-6-2-1-3-7-14/h1-9,12,15,24H,10-11,13H2,(H,21,25)
InChIKeyBXGMOYFLRZENCR-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.06
Rot. Bonds3

About 2-(3-hydroxypyrrolidin-1-yl)-N-phenylquinoline-4-carboxamide

2-(3-hydroxypyrrolidin-1-yl)-N-phenylquinoline-4-carboxamide (PubChem CID 22146674) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-(3-hydroxypyrrolidin-1-yl)-N-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-hydroxypyrrolidin-1-yl)-N-phenylquinoline-4-carboxamide
PubChem CID22146674
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-(3-hydroxypyrrolidin-1-yl)-N-phenylquinoline-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(N2CCC(O)C2)nc2ccccc12
InChIInChI=1S/C20H19N3O2/c24-15-10-11-23(13-15)19-12-17(16-8-4-5-9-18(16)22-19)20(25)21-14-6-2-1-3-7-14/h1-9,12,15,24H,10-11,13H2,(H,21,25)
InChIKeyBXGMOYFLRZENCR-UHFFFAOYSA-N
XLogP3.06
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(4-hydroxypiperidin-1-yl)quinoline-4-carbonyl]amino]-3,5-dimethylbenzoic acid
CID 86707366
2-[(3S)-3-hydroxypiperidin-1-yl]quinoline-4-carboxamide
CID 94022780
N-cyclopropyl-2-[3-(phenylcarbamoyl)piperidin-1-yl]quinoline-4-carboxamide
CID 134032376
N-(3-methylphenyl)-2-piperidin-1-ylquinoline-4-carboxamide
CID 745042
N-(4-methylphenyl)-2-morpholin-4-ylquinoline-4-carboxamide
CID 659672
2-(3-hydroxypiperidin-1-yl)quinoline-4-carbothioamide
CID 63885913
2-(3-methoxypyrrolidin-1-yl)quinoline-4-carboxylic acid
CID 103534285
N-(2-ethylphenyl)-2-(4-methylpiperidin-1-yl)quinoline-4-carboxamide
CID 91232917
ethane;2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenylquinoline-4-carboxamide
CID 70132088
N-(3,3-dimethylbutan-2-yl)-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide
CID 46090939
N-benzyl-2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
CID 117089548
N-[(2R)-4-methylpentan-2-yl]-2-[(3S)-3-methylpiperidin-1-yl]quinoline-4-carboxamide
CID 98638684

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypyrrolidin-1-yl)-N-phenylquinoline-4-carboxamide?
The IUPAC name of 2-(3-hydroxypyrrolidin-1-yl)-N-phenylquinoline-4-carboxamide (CID 22146674) is 2-(3-hydroxypyrrolidin-1-yl)-N-phenylquinoline-4-carboxamide.
What is the SMILES notation for 2-(3-hydroxypyrrolidin-1-yl)-N-phenylquinoline-4-carboxamide?
The canonical SMILES for 2-(3-hydroxypyrrolidin-1-yl)-N-phenylquinoline-4-carboxamide is O=C(Nc1ccccc1)c1cc(N2CCC(O)C2)nc2ccccc12.
What is the InChIKey of 2-(3-hydroxypyrrolidin-1-yl)-N-phenylquinoline-4-carboxamide?
The InChIKey is BXGMOYFLRZENCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-15-10-11-23(13-15)19-12-17(16-8-4-5-9-18(16)22-19)20(25)21-14-6-2-1-3-7-14/h1-9,12,15,24H,10-11,13H2,(H,21,25).
What are the key properties of 2-(3-hydroxypyrrolidin-1-yl)-N-phenylquinoline-4-carboxamide?
2-(3-hydroxypyrrolidin-1-yl)-N-phenylquinoline-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypyrrolidin-1-yl)-N-phenylquinoline-4-carboxamide is sourced from PubChem (CID 22146674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).