6-bromo-2-methyl-4-(3-methylphenyl)quinoline

C17H14BrN — CID 168914877

IUPAC6-bromo-2-methyl-4-(3-methylphenyl)quinoline
SMILESCc1cccc(-c2cc(C)nc3ccc(Br)cc23)c1
InChIInChI=1S/C17H14BrN/c1-11-4-3-5-13(8-11)15-9-12(2)19-17-7-6-14(18)10-16(15)17/h3-10H,1-2H3
InChIKeyQTHIXEYXCZBCQX-UHFFFAOYSA-N
MW312.21 g/mol
LogP5.28
Rot. Bonds1

About 6-bromo-2-methyl-4-(3-methylphenyl)quinoline

6-bromo-2-methyl-4-(3-methylphenyl)quinoline (PubChem CID 168914877) has the molecular formula C17H14BrN and a molecular weight of 312.21 g/mol. Its IUPAC name is 6-bromo-2-methyl-4-(3-methylphenyl)quinoline.

Molecular Properties

Compound Name6-bromo-2-methyl-4-(3-methylphenyl)quinoline
PubChem CID168914877
Molecular FormulaC17H14BrN
Molecular Weight312.21 g/mol
Exact Mass311.03
IUPAC Name6-bromo-2-methyl-4-(3-methylphenyl)quinoline
SMILESCc1cccc(-c2cc(C)nc3ccc(Br)cc23)c1
InChIInChI=1S/C17H14BrN/c1-11-4-3-5-13(8-11)15-9-12(2)19-17-7-6-14(18)10-16(15)17/h3-10H,1-2H3
InChIKeyQTHIXEYXCZBCQX-UHFFFAOYSA-N
XLogP5.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.21
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-bromo-2-methyl-4-(3-methylphenyl)quinoline 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-[3-(6-bromo-2-methylquinolin-4-yl)phenyl]prop-2-en-1-one;ethane
CID 168915019
6-bromo-N-methyl-2-(3-methylphenyl)quinazolin-4-amine
CID 64981581
6-bromo-2-methyl-4-phenylquinazoline
CID 4713931
6-methoxy-2-methyl-4-phenylquinoline
CID 12787220
[3-(6-bromo-2-methoxyquinolin-4-yl)phenyl]methanol
CID 169292109
2-bromo-1,3-bis(3-methylphenyl)benzene
CID 3691341
N'-(6-bromo-4-phenylquinazolin-2-yl)-3-methylbenzohydrazide
CID 4032991
6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline
CID 122600310
6-bromo-N,N-diethyl-2-methylquinolin-4-amine
CID 110434316
4,6-dimethyl-2-(3-methylphenyl)pyrimidine
CID 55264289
6-methoxy-2-methyl-4-(4-methylphenyl)quinoline
CID 101221850
4-(4-bromophenyl)-6-methyl-2,3-diphenylpyridine
CID 134944928

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-4-(3-methylphenyl)quinoline?
The IUPAC name of 6-bromo-2-methyl-4-(3-methylphenyl)quinoline (CID 168914877) is 6-bromo-2-methyl-4-(3-methylphenyl)quinoline.
What is the SMILES notation for 6-bromo-2-methyl-4-(3-methylphenyl)quinoline?
The canonical SMILES for 6-bromo-2-methyl-4-(3-methylphenyl)quinoline is Cc1cccc(-c2cc(C)nc3ccc(Br)cc23)c1.
What is the InChIKey of 6-bromo-2-methyl-4-(3-methylphenyl)quinoline?
The InChIKey is QTHIXEYXCZBCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN/c1-11-4-3-5-13(8-11)15-9-12(2)19-17-7-6-14(18)10-16(15)17/h3-10H,1-2H3.
What are the key properties of 6-bromo-2-methyl-4-(3-methylphenyl)quinoline?
6-bromo-2-methyl-4-(3-methylphenyl)quinoline has a molecular weight of 312.21 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-4-(3-methylphenyl)quinoline is sourced from PubChem (CID 168914877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).