2-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]-1,6-naphthyridine

C22H20N2 — CID 144602307

IUPAC2-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]-1,6-naphthyridine
SMILESCc1cccc(C2=C(c3ccc4cnccc4n3)C=CC(C)C2)c1
InChIInChI=1S/C22H20N2/c1-15-4-3-5-17(12-15)20-13-16(2)6-8-19(20)22-9-7-18-14-23-11-10-21(18)24-22/h3-12,14,16H,13H2,1-2H3
InChIKeyHJKBWIPWZCEQIB-UHFFFAOYSA-N
MW312.42 g/mol
LogP5.45
Rot. Bonds2

About 2-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]-1,6-naphthyridine

2-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]-1,6-naphthyridine (PubChem CID 144602307) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]-1,6-naphthyridine.

Molecular Properties

Compound Name2-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]-1,6-naphthyridine
PubChem CID144602307
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name2-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]-1,6-naphthyridine
SMILESCc1cccc(C2=C(c3ccc4cnccc4n3)C=CC(C)C2)c1
InChIInChI=1S/C22H20N2/c1-15-4-3-5-17(12-15)20-13-16(2)6-8-19(20)22-9-7-18-14-23-11-10-21(18)24-22/h3-12,14,16H,13H2,1-2H3
InChIKeyHJKBWIPWZCEQIB-UHFFFAOYSA-N
XLogP5.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]-1,6-naphthyridine 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-ethyl-2-methylidene-5-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]pyridine
CID 144943855
2-[3-methyl-5-(3-methylpentan-3-yl)phenyl]-1,6-naphthyridine
CID 153463443
iridium;tris(7-methyl-2-(3-methylphenyl)quinoline)
CID 159550728
2-(3-methylphenyl)-3-phenylimidazo[4,5-c]pyridine
CID 163782287
2-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,6-naphthyridine
CID 90095866
6-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)quinoline
CID 143289961
1-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzene
CID 145174438
2-(3-methylphenyl)pyridine;bis(2-phenylquinoline);ruthenium(3+)
CID 172795269
7-cyclohexyl-2-(3-methylphenyl)quinoline
CID 138464250
methylidenephosphane;3-(3-methylphenyl)pyridine
CID 144875841
6-fluoro-5,7-dimethyl-2-(3-methylphenyl)quinoline
CID 138464468
N-[1-[5-(3-methylphenyl)-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-8-yl]ethenyl]pyrazin-2-amine
CID 137399812

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]-1,6-naphthyridine?
The IUPAC name of 2-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]-1,6-naphthyridine (CID 144602307) is 2-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]-1,6-naphthyridine.
What is the SMILES notation for 2-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]-1,6-naphthyridine?
The canonical SMILES for 2-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]-1,6-naphthyridine is Cc1cccc(C2=C(c3ccc4cnccc4n3)C=CC(C)C2)c1.
What is the InChIKey of 2-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]-1,6-naphthyridine?
The InChIKey is HJKBWIPWZCEQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-15-4-3-5-17(12-15)20-13-16(2)6-8-19(20)22-9-7-18-14-23-11-10-21(18)24-22/h3-12,14,16H,13H2,1-2H3.
What are the key properties of 2-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]-1,6-naphthyridine?
2-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]-1,6-naphthyridine has a molecular weight of 312.42 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]-1,6-naphthyridine is sourced from PubChem (CID 144602307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).