7-methyl-1-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)isoquinoline

C19H21N — CID 129044438

IUPAC7-methyl-1-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)isoquinoline
SMILESCC1=CC(c2nccc3ccc(C)cc23)C(C)C(C)=C1
InChIInChI=1S/C19H21N/c1-12-5-6-16-7-8-20-19(18(16)10-12)17-11-13(2)9-14(3)15(17)4/h5-11,15,17H,1-4H3
InChIKeyHIFXSEPMWAJHQW-UHFFFAOYSA-N
MW263.38 g/mol
LogP5.17
Rot. Bonds1

About 7-methyl-1-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)isoquinoline

7-methyl-1-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)isoquinoline (PubChem CID 129044438) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 7-methyl-1-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)isoquinoline.

Molecular Properties

Compound Name7-methyl-1-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)isoquinoline
PubChem CID129044438
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name7-methyl-1-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)isoquinoline
SMILESCC1=CC(c2nccc3ccc(C)cc23)C(C)C(C)=C1
InChIInChI=1S/C19H21N/c1-12-5-6-16-7-8-20-19(18(16)10-12)17-11-13(2)9-14(3)15(17)4/h5-11,15,17H,1-4H3
InChIKeyHIFXSEPMWAJHQW-UHFFFAOYSA-N
XLogP5.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.38
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-methyl-1-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)isoquinoline?
The IUPAC name of 7-methyl-1-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)isoquinoline (CID 129044438) is 7-methyl-1-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)isoquinoline.
What is the SMILES notation for 7-methyl-1-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)isoquinoline?
The canonical SMILES for 7-methyl-1-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)isoquinoline is CC1=CC(c2nccc3ccc(C)cc23)C(C)C(C)=C1.
What is the InChIKey of 7-methyl-1-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)isoquinoline?
The InChIKey is HIFXSEPMWAJHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-12-5-6-16-7-8-20-19(18(16)10-12)17-11-13(2)9-14(3)15(17)4/h5-11,15,17H,1-4H3.
What are the key properties of 7-methyl-1-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)isoquinoline?
7-methyl-1-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)isoquinoline has a molecular weight of 263.38 g/mol, XLogP of 5.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)isoquinoline is sourced from PubChem (CID 129044438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).