N-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylquinoline-4-carboxamide

C23H23N3O3 — CID 95787883

IUPACN-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylquinoline-4-carboxamide
SMILESO=C(NC[C@H](O)CN1CCCC1=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H23N3O3/c27-17(15-26-12-6-11-22(26)28)14-24-23(29)19-13-21(16-7-2-1-3-8-16)25-20-10-5-4-9-18(19)20/h1-5,7-10,13,17,27H,6,11-12,14-15H2,(H,24,29)/t17-/m0/s1
InChIKeyOHJVNFFLDZWLPU-KRWDZBQOSA-N
MW389.46 g/mol
LogP2.61
Rot. Bonds6

About N-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylquinoline-4-carboxamide

N-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylquinoline-4-carboxamide (PubChem CID 95787883) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylquinoline-4-carboxamide
PubChem CID95787883
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylquinoline-4-carboxamide
SMILESO=C(NC[C@H](O)CN1CCCC1=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H23N3O3/c27-17(15-26-12-6-11-22(26)28)14-24-23(29)19-13-21(16-7-2-1-3-8-16)25-20-10-5-4-9-18(19)20/h1-5,7-10,13,17,27H,6,11-12,14-15H2,(H,24,29)/t17-/m0/s1
InChIKeyOHJVNFFLDZWLPU-KRWDZBQOSA-N
XLogP2.61
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 112799485
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylquinoline-4-carboxamide
CID 46700452
2-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]quinoline-4-carboxamide
CID 39515438
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-phenylquinoline-4-carboxamide
CID 86981104
N-[(2S)-3-[(4-methylphenyl)methylsulfanyl]-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)propylamino]propan-2-yl]-2-phenylquinoline-4-carboxamide
CID 118705843
N-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42654572
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopiperidin-1-yl)propyl]quinoline-4-carboxamide
CID 166220259
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
2-(4-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 24612009
N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749438
N-[2,2-dimethyl-3-[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 4057293
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylquinoline-4-carboxamide (CID 95787883) is N-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylquinoline-4-carboxamide is O=C(NC[C@H](O)CN1CCCC1=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is OHJVNFFLDZWLPU-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-17(15-26-12-6-11-22(26)28)14-24-23(29)19-13-21(16-7-2-1-3-8-16)25-20-10-5-4-9-18(19)20/h1-5,7-10,13,17,27H,6,11-12,14-15H2,(H,24,29)/t17-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylquinoline-4-carboxamide?
N-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 95787883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).