3-acetyl-4-(4-bromophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinolin-5-one

C18H18BrNO2 — CID 14955175

IUPAC3-acetyl-4-(4-bromophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinolin-5-one
SMILESCC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc(Br)cc1
InChIInChI=1S/C18H18BrNO2/c1-10-16(11(2)21)17(12-6-8-13(19)9-7-12)18-14(20-10)4-3-5-15(18)22/h6-9,17,20H,3-5H2,1-2H3
InChIKeyQLMJXRWLNIURAY-UHFFFAOYSA-N
MW360.25 g/mol
LogP4.01
Rot. Bonds2

About 3-acetyl-4-(4-bromophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinolin-5-one

3-acetyl-4-(4-bromophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinolin-5-one (PubChem CID 14955175) has the molecular formula C18H18BrNO2 and a molecular weight of 360.25 g/mol. Its IUPAC name is 3-acetyl-4-(4-bromophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinolin-5-one.

Molecular Properties

Compound Name3-acetyl-4-(4-bromophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinolin-5-one
PubChem CID14955175
Molecular FormulaC18H18BrNO2
Molecular Weight360.25 g/mol
Exact Mass359.05
IUPAC Name3-acetyl-4-(4-bromophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinolin-5-one
SMILESCC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc(Br)cc1
InChIInChI=1S/C18H18BrNO2/c1-10-16(11(2)21)17(12-6-8-13(19)9-7-12)18-14(20-10)4-3-5-15(18)22/h6-9,17,20H,3-5H2,1-2H3
InChIKeyQLMJXRWLNIURAY-UHFFFAOYSA-N
XLogP4.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-acetyl-4-(4-bromophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinolin-5-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

3-acetyl-4-(4-methoxyphenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinolin-5-one
CID 14955184
cyclopentyl 4-(4-bromophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2855825
3-acetyl-4-(4-bromophenyl)-2,6,6-trimethyl-1,4,7,8-tetrahydroquinolin-5-one
CID 10834122
(4R)-4-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1022568
(4S)-4-(4-bromophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 997185
4-(4-bromophenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 4174216
(4R)-4-(4-bromophenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1022569
methyl (4R)-2-methyl-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 746997
methyl (4S)-4-(4-acetyloxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1049462
(4S)-N-(5-bromo-2-pyridinyl)-2-methyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1022458
methyl (4S)-4-(3-bromophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1101400
ethyl 2-methyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2763934

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-(4-bromophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The IUPAC name of 3-acetyl-4-(4-bromophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinolin-5-one (CID 14955175) is 3-acetyl-4-(4-bromophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinolin-5-one.
What is the SMILES notation for 3-acetyl-4-(4-bromophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The canonical SMILES for 3-acetyl-4-(4-bromophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinolin-5-one is CC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc(Br)cc1.
What is the InChIKey of 3-acetyl-4-(4-bromophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The InChIKey is QLMJXRWLNIURAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO2/c1-10-16(11(2)21)17(12-6-8-13(19)9-7-12)18-14(20-10)4-3-5-15(18)22/h6-9,17,20H,3-5H2,1-2H3.
What are the key properties of 3-acetyl-4-(4-bromophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinolin-5-one?
3-acetyl-4-(4-bromophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinolin-5-one has a molecular weight of 360.25 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-(4-bromophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinolin-5-one is sourced from PubChem (CID 14955175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).