2-methyl-6H-isoquinoline

C10H11N — CID 90859730

IUPAC2-methyl-6H-isoquinoline
SMILESCN1C=CC2=CCC=CC2=C1
InChIInChI=1S/C10H11N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h3-8H,2H2,1H3
InChIKeyWXGCORAVIZIAFU-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.22
Rot. Bonds

About 2-methyl-6H-isoquinoline

2-methyl-6H-isoquinoline (PubChem CID 90859730) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-methyl-6H-isoquinoline.

Molecular Properties

Compound Name2-methyl-6H-isoquinoline
PubChem CID90859730
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name2-methyl-6H-isoquinoline
SMILESCN1C=CC2=CCC=CC2=C1
InChIInChI=1S/C10H11N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h3-8H,2H2,1H3
InChIKeyWXGCORAVIZIAFU-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6H-isoquinoline?
The IUPAC name of 2-methyl-6H-isoquinoline (CID 90859730) is 2-methyl-6H-isoquinoline.
What is the SMILES notation for 2-methyl-6H-isoquinoline?
The canonical SMILES for 2-methyl-6H-isoquinoline is CN1C=CC2=CCC=CC2=C1.
What is the InChIKey of 2-methyl-6H-isoquinoline?
The InChIKey is WXGCORAVIZIAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h3-8H,2H2,1H3.
What are the key properties of 2-methyl-6H-isoquinoline?
2-methyl-6H-isoquinoline has a molecular weight of 145.20 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6H-isoquinoline is sourced from PubChem (CID 90859730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).