6-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)quinoline

C17H17N — CID 143289961

IUPAC6-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)quinoline
SMILESCc1ccc2nc(C3=CC=CC(C)C3)ccc2c1
InChIInChI=1S/C17H17N/c1-12-4-3-5-14(10-12)17-9-7-15-11-13(2)6-8-16(15)18-17/h3-9,11-12H,10H2,1-2H3
InChIKeyLHSWGPCHTSQBLB-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.52
Rot. Bonds1

About 6-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)quinoline

6-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)quinoline (PubChem CID 143289961) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)quinoline.

Molecular Properties

Compound Name6-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)quinoline
PubChem CID143289961
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name6-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)quinoline
SMILESCc1ccc2nc(C3=CC=CC(C)C3)ccc2c1
InChIInChI=1S/C17H17N/c1-12-4-3-5-14(10-12)17-9-7-15-11-13(2)6-8-16(15)18-17/h3-9,11-12H,10H2,1-2H3
InChIKeyLHSWGPCHTSQBLB-UHFFFAOYSA-N
XLogP4.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)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

4-(5-methylcyclohexa-1,3-dien-1-yl)-2-[4-(4-methylphenyl)phenyl]-6-phenylpyrimidine;6-(3-methylphenyl)-2-(4-methylphenyl)-4-phenyl-4,5-dihydropyrimidine
CID 144588577
6-methyl-2-(6-methylquinolin-2-yl)quinazoline
CID 130272199
2-(4-fluorophenyl)-6-methylquinoline
CID 13224215
2,5-dimethyl-4-(6-methylquinolin-2-yl)-1,3-thiazole
CID 58774484
2-(2-fluorophenyl)-6-methylquinoline
CID 58774468
2-(5-ethynylthiophen-3-yl)-6-methylquinoline
CID 158205863
4-(5-methylcyclohexa-1,3-dien-1-yl)-6-pyridin-2-ylpyridin-2-amine
CID 166668066
2,7-dimethylacridine
CID 14490101
2-(6-methylquinolin-2-yl)benzene-1,4-diol
CID 136961373
(4S)-2-(6-methylquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 90193131
iodomethane;2-iodo-6-methylquinoline
CID 87637149
6-methyl-2-methylsulfonylquinoline
CID 138563727

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)quinoline?
The IUPAC name of 6-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)quinoline (CID 143289961) is 6-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)quinoline.
What is the SMILES notation for 6-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)quinoline?
The canonical SMILES for 6-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)quinoline is Cc1ccc2nc(C3=CC=CC(C)C3)ccc2c1.
What is the InChIKey of 6-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)quinoline?
The InChIKey is LHSWGPCHTSQBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-12-4-3-5-14(10-12)17-9-7-15-11-13(2)6-8-16(15)18-17/h3-9,11-12H,10H2,1-2H3.
What are the key properties of 6-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)quinoline?
6-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)quinoline has a molecular weight of 235.33 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)quinoline is sourced from PubChem (CID 143289961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).