4-(6-bromo-8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one

C17H21BrN2O2 — CID 86887090

IUPAC4-(6-bromo-8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one
SMILESCCN1CC(C(=O)N2CCCc3cc(Br)cc(C)c32)CC1=O
InChIInChI=1S/C17H21BrN2O2/c1-3-19-10-13(9-15(19)21)17(22)20-6-4-5-12-8-14(18)7-11(2)16(12)20/h7-8,13H,3-6,9-10H2,1-2H3
InChIKeyYSEQJLNCBNRHJV-UHFFFAOYSA-N
MW365.27 g/mol
LogP2.91
Rot. Bonds2

About 4-(6-bromo-8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one

4-(6-bromo-8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one (PubChem CID 86887090) has the molecular formula C17H21BrN2O2 and a molecular weight of 365.27 g/mol. Its IUPAC name is 4-(6-bromo-8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(6-bromo-8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one
PubChem CID86887090
Molecular FormulaC17H21BrN2O2
Molecular Weight365.27 g/mol
Exact Mass364.08
IUPAC Name4-(6-bromo-8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one
SMILESCCN1CC(C(=O)N2CCCc3cc(Br)cc(C)c32)CC1=O
InChIInChI=1S/C17H21BrN2O2/c1-3-19-10-13(9-15(19)21)17(22)20-6-4-5-12-8-14(18)7-11(2)16(12)20/h7-8,13H,3-6,9-10H2,1-2H3
InChIKeyYSEQJLNCBNRHJV-UHFFFAOYSA-N
XLogP2.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(6-bromo-8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 86887154
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one
CID 47166895
1-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-cyclopentylsulfonylpropan-1-one
CID 86887076
tert-butyl 5-bromo-7-methyl-2,3-dihydroindole-1-carboxylate
CID 153360716
(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfonylphenyl)methanone
CID 86887149
(6-bromo-1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methanol
CID 15053146
(3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586169
(3R)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586168
(4R)-4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one
CID 31831854
5-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63153999
ethyl 1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidine-3-carboxylate
CID 43424047
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 113182980

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one?
The IUPAC name of 4-(6-bromo-8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one (CID 86887090) is 4-(6-bromo-8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one.
What is the SMILES notation for 4-(6-bromo-8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one?
The canonical SMILES for 4-(6-bromo-8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one is CCN1CC(C(=O)N2CCCc3cc(Br)cc(C)c32)CC1=O.
What is the InChIKey of 4-(6-bromo-8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one?
The InChIKey is YSEQJLNCBNRHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O2/c1-3-19-10-13(9-15(19)21)17(22)20-6-4-5-12-8-14(18)7-11(2)16(12)20/h7-8,13H,3-6,9-10H2,1-2H3.
What are the key properties of 4-(6-bromo-8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one?
4-(6-bromo-8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one has a molecular weight of 365.27 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one is sourced from PubChem (CID 86887090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).