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

C20H21BrN2O3 — CID 86887154

IUPAC4-(6-bromo-8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one
SMILESCc1cc(Br)cc2c1N(C(=O)C1CC(=O)N(Cc3ccco3)C1)CCC2
InChIInChI=1S/C20H21BrN2O3/c1-13-8-16(21)9-14-4-2-6-23(19(13)14)20(25)15-10-18(24)22(11-15)12-17-5-3-7-26-17/h3,5,7-9,15H,2,4,6,10-12H2,1H3
InChIKeyXUJXWQKRYJMMIS-UHFFFAOYSA-N
MW417.30 g/mol
LogP3.68
Rot. Bonds3

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

4-(6-bromo-8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one (PubChem CID 86887154) has the molecular formula C20H21BrN2O3 and a molecular weight of 417.30 g/mol. Its IUPAC name is 4-(6-bromo-8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(6-bromo-8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one
PubChem CID86887154
Molecular FormulaC20H21BrN2O3
Molecular Weight417.30 g/mol
Exact Mass416.07
IUPAC Name4-(6-bromo-8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one
SMILESCc1cc(Br)cc2c1N(C(=O)C1CC(=O)N(Cc3ccco3)C1)CCC2
InChIInChI=1S/C20H21BrN2O3/c1-13-8-16(21)9-14-4-2-6-23(19(13)14)20(25)15-10-18(24)22(11-15)12-17-5-3-7-26-17/h3,5,7-9,15H,2,4,6,10-12H2,1H3
InChIKeyXUJXWQKRYJMMIS-UHFFFAOYSA-N
XLogP3.68
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-bromo-8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one
CID 86887090
(3S)-N-(4-bromo-3-methylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 9095963
N-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42909280
4-(2,4-dimethylpiperazine-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 71877105
(4S)-4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 100892241
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873925
1-(furan-2-ylmethyl)-4-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55950449
1-(furan-2-ylmethyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 51263184
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
(4S)-1-(furan-2-ylmethyl)-4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94136051
4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 51207395

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-(6-bromo-8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one (CID 86887154) is 4-(6-bromo-8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(6-bromo-8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(6-bromo-8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one is Cc1cc(Br)cc2c1N(C(=O)C1CC(=O)N(Cc3ccco3)C1)CCC2.
What is the InChIKey of 4-(6-bromo-8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is XUJXWQKRYJMMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O3/c1-13-8-16(21)9-14-4-2-6-23(19(13)14)20(25)15-10-18(24)22(11-15)12-17-5-3-7-26-17/h3,5,7-9,15H,2,4,6,10-12H2,1H3.
What are the key properties of 4-(6-bromo-8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one?
4-(6-bromo-8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 417.30 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 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-(furan-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 86887154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).