1-[[4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one

C21H20F2N2O2 — CID 55671472

IUPAC1-[[4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccc(C(=O)N2CCCc3c(F)cc(F)cc32)cc1
InChIInChI=1S/C21H20F2N2O2/c22-16-11-18(23)17-3-1-10-25(19(17)12-16)21(27)15-7-5-14(6-8-15)13-24-9-2-4-20(24)26/h5-8,11-12H,1-4,9-10,13H2
InChIKeyQKJQEGPXLUQMPK-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.68
Rot. Bonds3

About 1-[[4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one

1-[[4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one (PubChem CID 55671472) has the molecular formula C21H20F2N2O2 and a molecular weight of 370.40 g/mol. Its IUPAC name is 1-[[4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
PubChem CID55671472
Molecular FormulaC21H20F2N2O2
Molecular Weight370.40 g/mol
Exact Mass370.15
IUPAC Name1-[[4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccc(C(=O)N2CCCc3c(F)cc(F)cc32)cc1
InChIInChI=1S/C21H20F2N2O2/c22-16-11-18(23)17-3-1-10-25(19(17)12-16)21(27)15-7-5-14(6-8-15)13-24-9-2-4-20(24)26/h5-8,11-12H,1-4,9-10,13H2
InChIKeyQKJQEGPXLUQMPK-UHFFFAOYSA-N
XLogP3.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[[4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
CID 55915537
2-chloro-1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 131264590
(4-fluorophenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 86906530
(4,6-difluoro-2,3-dihydroindol-1-yl)-(4-iodophenyl)methanone
CID 112833897
1-[(4-fluorophenyl)methyl]azepan-2-one
CID 154273809
(4-chloro-3-nitrophenyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55671768
1-[[4-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 55555950
N-ethyl-N-(4-fluorophenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 51198675
1-[[4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 120658389
1-[[4-(3,5-dimethylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
CID 119564568
1-[[4-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 146101860
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94012016

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one (CID 55671472) is 1-[[4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1ccc(C(=O)N2CCCc3c(F)cc(F)cc32)cc1.
What is the InChIKey of 1-[[4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is QKJQEGPXLUQMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O2/c22-16-11-18(23)17-3-1-10-25(19(17)12-16)21(27)15-7-5-14(6-8-15)13-24-9-2-4-20(24)26/h5-8,11-12H,1-4,9-10,13H2.
What are the key properties of 1-[[4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one?
1-[[4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 370.40 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 55671472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).