8-methyl-1-(8-methylisoquinolin-1-yl)isoquinoline

C20H16N2 — CID 15264481

IUPAC8-methyl-1-(8-methylisoquinolin-1-yl)isoquinoline
SMILESCc1cccc2ccnc(-c3nccc4cccc(C)c34)c12
InChIInChI=1S/C20H16N2/c1-13-5-3-7-15-9-11-21-19(17(13)15)20-18-14(2)6-4-8-16(18)10-12-22-20/h3-12H,1-2H3
InChIKeyMLBCPYHYNMHVTJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP5.07
Rot. Bonds1

About 8-methyl-1-(8-methylisoquinolin-1-yl)isoquinoline

8-methyl-1-(8-methylisoquinolin-1-yl)isoquinoline (PubChem CID 15264481) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 8-methyl-1-(8-methylisoquinolin-1-yl)isoquinoline.

Molecular Properties

Compound Name8-methyl-1-(8-methylisoquinolin-1-yl)isoquinoline
PubChem CID15264481
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC Name8-methyl-1-(8-methylisoquinolin-1-yl)isoquinoline
SMILESCc1cccc2ccnc(-c3nccc4cccc(C)c34)c12
InChIInChI=1S/C20H16N2/c1-13-5-3-7-15-9-11-21-19(17(13)15)20-18-14(2)6-4-8-16(18)10-12-22-20/h3-12H,1-2H3
InChIKeyMLBCPYHYNMHVTJ-UHFFFAOYSA-N
XLogP5.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Azatadine
CID 19861
Benzo(F)Quinoline
CID 6796
4,7-Diphenyl-1,10-phenanthroline
CID 72812
8-Methylquinoline
CID 11910
1,7-Phenanthroline
CID 67473
4,4'-Dimethyl-2,2'-bipyridine
CID 14338
5-Methyl-1,10-phenanthroline
CID 72791
4,7-Dimethyl-1,10-phenanthroline
CID 72792
4-Methyl-1,10-phenanthroline
CID 93149
4,7-Phenanthroline
CID 67472
4-(4-Dimethylaminostyryl)quinoline
CID 668053
5,6-Dimethyl-1,10-phenanthroline
CID 76357

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-(8-methylisoquinolin-1-yl)isoquinoline?
The IUPAC name of 8-methyl-1-(8-methylisoquinolin-1-yl)isoquinoline (CID 15264481) is 8-methyl-1-(8-methylisoquinolin-1-yl)isoquinoline.
What is the SMILES notation for 8-methyl-1-(8-methylisoquinolin-1-yl)isoquinoline?
The canonical SMILES for 8-methyl-1-(8-methylisoquinolin-1-yl)isoquinoline is Cc1cccc2ccnc(-c3nccc4cccc(C)c34)c12.
What is the InChIKey of 8-methyl-1-(8-methylisoquinolin-1-yl)isoquinoline?
The InChIKey is MLBCPYHYNMHVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2/c1-13-5-3-7-15-9-11-21-19(17(13)15)20-18-14(2)6-4-8-16(18)10-12-22-20/h3-12H,1-2H3.
What are the key properties of 8-methyl-1-(8-methylisoquinolin-1-yl)isoquinoline?
8-methyl-1-(8-methylisoquinolin-1-yl)isoquinoline has a molecular weight of 284.36 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-(8-methylisoquinolin-1-yl)isoquinoline is sourced from PubChem (CID 15264481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).