N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylquinoline-4-carboxamide

C22H21N3O2 — CID 46700452

IUPACN-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylquinoline-4-carboxamide
SMILESO=C(NCC(=O)N1CCCC1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H21N3O2/c26-21(25-12-6-7-13-25)15-23-22(27)18-14-20(16-8-2-1-3-9-16)24-19-11-5-4-10-17(18)19/h1-5,8-11,14H,6-7,12-13,15H2,(H,23,27)
InChIKeyBONCHFUIYXJQES-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.25
Rot. Bonds4

About N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylquinoline-4-carboxamide

N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylquinoline-4-carboxamide (PubChem CID 46700452) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylquinoline-4-carboxamide
PubChem CID46700452
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylquinoline-4-carboxamide
SMILESO=C(NCC(=O)N1CCCC1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H21N3O2/c26-21(25-12-6-7-13-25)15-23-22(27)18-14-20(16-8-2-1-3-9-16)24-19-11-5-4-10-17(18)19/h1-5,8-11,14H,6-7,12-13,15H2,(H,23,27)
InChIKeyBONCHFUIYXJQES-UHFFFAOYSA-N
XLogP3.25
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 24612009
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 24612002
2-phenyl-N-prop-2-ynylquinoline-4-carboxamide
CID 17474136
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749438
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603
N-[2,2-dimethyl-3-[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 4057293
N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide
CID 3975815
N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
CID 8991025
2-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
CID 9299791
N-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylquinoline-4-carboxamide
CID 95787883
N-(azetidin-3-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 162460260

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylquinoline-4-carboxamide (CID 46700452) is N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylquinoline-4-carboxamide is O=C(NCC(=O)N1CCCC1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylquinoline-4-carboxamide?
The InChIKey is BONCHFUIYXJQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-21(25-12-6-7-13-25)15-23-22(27)18-14-20(16-8-2-1-3-9-16)24-19-11-5-4-10-17(18)19/h1-5,8-11,14H,6-7,12-13,15H2,(H,23,27).
What are the key properties of N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylquinoline-4-carboxamide?
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylquinoline-4-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 46700452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).