1-ethenyl-3-(2-phenylquinoline-4-carbonyl)pyrrolidin-2-one

C22H18N2O2 — CID 17389777

IUPAC1-ethenyl-3-(2-phenylquinoline-4-carbonyl)pyrrolidin-2-one
SMILESC=CN1CCC(C(=O)c2cc(-c3ccccc3)nc3ccccc23)C1=O
InChIInChI=1S/C22H18N2O2/c1-2-24-13-12-17(22(24)26)21(25)18-14-20(15-8-4-3-5-9-15)23-19-11-7-6-10-16(18)19/h2-11,14,17H,1,12-13H2
InChIKeySUVSFHWVUMCRSK-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.08
Rot. Bonds4

About 1-ethenyl-3-(2-phenylquinoline-4-carbonyl)pyrrolidin-2-one

1-ethenyl-3-(2-phenylquinoline-4-carbonyl)pyrrolidin-2-one (PubChem CID 17389777) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-ethenyl-3-(2-phenylquinoline-4-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-ethenyl-3-(2-phenylquinoline-4-carbonyl)pyrrolidin-2-one
PubChem CID17389777
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name1-ethenyl-3-(2-phenylquinoline-4-carbonyl)pyrrolidin-2-one
SMILESC=CN1CCC(C(=O)c2cc(-c3ccccc3)nc3ccccc23)C1=O
InChIInChI=1S/C22H18N2O2/c1-2-24-13-12-17(22(24)26)21(25)18-14-20(15-8-4-3-5-9-15)23-19-11-7-6-10-16(18)19/h2-11,14,17H,1,12-13H2
InChIKeySUVSFHWVUMCRSK-UHFFFAOYSA-N
XLogP4.08
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-phenylquinoline-4-carboxylic acid;prop-1-ene
CID 143187114
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
2-[4-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]phenyl]quinoline-4-carboxylic acid
CID 124537261
(2,6-dimethylpiperidin-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 4224556
sodium 2-phenylquinoline-4-carboxylate
CID 23691042
2-(4-carboxyphenyl)quinoline-4-carboxylic acid
CID 57126411
sodium (2-phenylquinoline-4-carbonyl)azanide
CID 140991412
N,N-dicyclohexyl-2-phenylquinoline-4-carboxamide
CID 3554949
2-(1-methylazetidin-3-yl)-1-(2-phenylquinolin-4-yl)ethanone
CID 160950285
1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide
CID 2094903

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-(2-phenylquinoline-4-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-ethenyl-3-(2-phenylquinoline-4-carbonyl)pyrrolidin-2-one (CID 17389777) is 1-ethenyl-3-(2-phenylquinoline-4-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-ethenyl-3-(2-phenylquinoline-4-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-ethenyl-3-(2-phenylquinoline-4-carbonyl)pyrrolidin-2-one is C=CN1CCC(C(=O)c2cc(-c3ccccc3)nc3ccccc23)C1=O.
What is the InChIKey of 1-ethenyl-3-(2-phenylquinoline-4-carbonyl)pyrrolidin-2-one?
The InChIKey is SUVSFHWVUMCRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-2-24-13-12-17(22(24)26)21(25)18-14-20(15-8-4-3-5-9-15)23-19-11-7-6-10-16(18)19/h2-11,14,17H,1,12-13H2.
What are the key properties of 1-ethenyl-3-(2-phenylquinoline-4-carbonyl)pyrrolidin-2-one?
1-ethenyl-3-(2-phenylquinoline-4-carbonyl)pyrrolidin-2-one has a molecular weight of 342.40 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-(2-phenylquinoline-4-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 17389777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).