1-[[4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one

C21H21BrN2O2 — CID 55915537

IUPAC1-[[4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccc(C(=O)N2CCCc3cc(Br)ccc32)cc1
InChIInChI=1S/C21H21BrN2O2/c22-18-9-10-19-17(13-18)3-1-12-24(19)21(26)16-7-5-15(6-8-16)14-23-11-2-4-20(23)25/h5-10,13H,1-4,11-12,14H2
InChIKeyVDJZJEXCVQVEQO-UHFFFAOYSA-N
MW413.32 g/mol
LogP4.16
Rot. Bonds3

About 1-[[4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one

1-[[4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one (PubChem CID 55915537) has the molecular formula C21H21BrN2O2 and a molecular weight of 413.32 g/mol. Its IUPAC name is 1-[[4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
PubChem CID55915537
Molecular FormulaC21H21BrN2O2
Molecular Weight413.32 g/mol
Exact Mass412.08
IUPAC Name1-[[4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccc(C(=O)N2CCCc3cc(Br)ccc32)cc1
InChIInChI=1S/C21H21BrN2O2/c22-18-9-10-19-17(13-18)3-1-12-24(19)21(26)16-7-5-15(6-8-16)14-23-11-2-4-20(23)25/h5-10,13H,1-4,11-12,14H2
InChIKeyVDJZJEXCVQVEQO-UHFFFAOYSA-N
XLogP4.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[[4-(6-bromo-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-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
CID 55671472
[4-(bromomethyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 102850817
1-[[4-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione
CID 31843433
1-[(4-bromophenyl)methyl]azepan-2-one
CID 55137398
(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
CID 55916686
1-[[4-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 55555950
(5-bromo-2,3-dihydroindol-1-yl)-(3,4-dichlorophenyl)methanone
CID 47444577
[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 26970761
2-[4-[(6-bromo-3,4-dihydro-2H-quinolin-1-yl)methyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 90013554
[4-(chloromethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43333292
1-[(3-bromophenyl)methyl]pyrrolidin-2-one
CID 61414137
5-bromo-2,3-dihydro-1H-indene;methyl 4-[(5-bromo-2,3-dihydroindol-1-yl)methyl]benzoate;methyl 4-(bromomethyl)benzoate
CID 160973255

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one (CID 55915537) is 1-[[4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1ccc(C(=O)N2CCCc3cc(Br)ccc32)cc1.
What is the InChIKey of 1-[[4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is VDJZJEXCVQVEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O2/c22-18-9-10-19-17(13-18)3-1-12-24(19)21(26)16-7-5-15(6-8-16)14-23-11-2-4-20(23)25/h5-10,13H,1-4,11-12,14H2.
What are the key properties of 1-[[4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one?
1-[[4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 413.32 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 55915537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).