2-methyl-3H-isoquinoline

C10H11N — CID 22098179

IUPAC2-methyl-3H-isoquinoline
SMILESCN1C=c2ccccc2=CC1
InChIInChI=1S/C10H11N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-6,8H,7H2,1H3
InChIKeyNKNAMFCAVCZXRI-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.15
Rot. Bonds

About 2-methyl-3H-isoquinoline

2-methyl-3H-isoquinoline (PubChem CID 22098179) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-methyl-3H-isoquinoline.

Molecular Properties

Compound Name2-methyl-3H-isoquinoline
PubChem CID22098179
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name2-methyl-3H-isoquinoline
SMILESCN1C=c2ccccc2=CC1
InChIInChI=1S/C10H11N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-6,8H,7H2,1H3
InChIKeyNKNAMFCAVCZXRI-UHFFFAOYSA-N
XLogP0.15
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 ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3H-isoquinoline?
The IUPAC name of 2-methyl-3H-isoquinoline (CID 22098179) is 2-methyl-3H-isoquinoline.
What is the SMILES notation for 2-methyl-3H-isoquinoline?
The canonical SMILES for 2-methyl-3H-isoquinoline is CN1C=c2ccccc2=CC1.
What is the InChIKey of 2-methyl-3H-isoquinoline?
The InChIKey is NKNAMFCAVCZXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-6,8H,7H2,1H3.
What are the key properties of 2-methyl-3H-isoquinoline?
2-methyl-3H-isoquinoline has a molecular weight of 145.20 g/mol, XLogP of 0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3H-isoquinoline is sourced from PubChem (CID 22098179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).