3-methylisoquinoline

C10H9N — CID 14306

IUPAC3-methylisoquinoline
SMILESCc1cc2ccccc2cn1
InChIInChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-7H,1H3
InChIKeyFVVXWRGARUACNW-UHFFFAOYSA-N
MW143.19 g/mol
LogP2.54
Rot. Bonds

About 3-methylisoquinoline

3-methylisoquinoline (PubChem CID 14306) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-methylisoquinoline.

Molecular Properties

Compound Name3-methylisoquinoline
PubChem CID14306
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name3-methylisoquinoline
SMILESCc1cc2ccccc2cn1
InChIInChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-7H,1H3
InChIKeyFVVXWRGARUACNW-UHFFFAOYSA-N
XLogP2.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Triprolidine
CID 5282443
(+-)-Dimethindene
CID 21855
Quinoline
CID 7047
Pheniramine
CID 4761
6-Methylquinoline
CID 7059
Myosmine
CID 442649
Azatadine
CID 19861
Isoquinoline
CID 8405
2-Methylquinoline
CID 7060
5-Methylquinoxaline
CID 61670
5-Ethyl-2-methylpyridine
CID 7728
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664

Frequently Asked Questions

What is the IUPAC name of 3-methylisoquinoline?
The IUPAC name of 3-methylisoquinoline (CID 14306) is 3-methylisoquinoline.
What is the SMILES notation for 3-methylisoquinoline?
The canonical SMILES for 3-methylisoquinoline is Cc1cc2ccccc2cn1.
What is the InChIKey of 3-methylisoquinoline?
The InChIKey is FVVXWRGARUACNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-7H,1H3.
What are the key properties of 3-methylisoquinoline?
3-methylisoquinoline has a molecular weight of 143.19 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylisoquinoline is sourced from PubChem (CID 14306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).