(1-methyl-1H-isoquinolin-2-yl)-phenylmethanone

C17H15NO — CID 14417729

IUPAC(1-methyl-1H-isoquinolin-2-yl)-phenylmethanone
SMILESCC1c2ccccc2C=CN1C(=O)c1ccccc1
InChIInChI=1S/C17H15NO/c1-13-16-10-6-5-7-14(16)11-12-18(13)17(19)15-8-3-2-4-9-15/h2-13H,1H3
InChIKeyNSNOTBCAYSDZJX-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.87
Rot. Bonds1

About (1-methyl-1H-isoquinolin-2-yl)-phenylmethanone

(1-methyl-1H-isoquinolin-2-yl)-phenylmethanone (PubChem CID 14417729) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is (1-methyl-1H-isoquinolin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-methyl-1H-isoquinolin-2-yl)-phenylmethanone
PubChem CID14417729
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name(1-methyl-1H-isoquinolin-2-yl)-phenylmethanone
SMILESCC1c2ccccc2C=CN1C(=O)c1ccccc1
InChIInChI=1S/C17H15NO/c1-13-16-10-6-5-7-14(16)11-12-18(13)17(19)15-8-3-2-4-9-15/h2-13H,1H3
InChIKeyNSNOTBCAYSDZJX-UHFFFAOYSA-N
XLogP3.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-1H-isoquinolin-2-yl)-phenylmethanone?
The IUPAC name of (1-methyl-1H-isoquinolin-2-yl)-phenylmethanone (CID 14417729) is (1-methyl-1H-isoquinolin-2-yl)-phenylmethanone.
What is the SMILES notation for (1-methyl-1H-isoquinolin-2-yl)-phenylmethanone?
The canonical SMILES for (1-methyl-1H-isoquinolin-2-yl)-phenylmethanone is CC1c2ccccc2C=CN1C(=O)c1ccccc1.
What is the InChIKey of (1-methyl-1H-isoquinolin-2-yl)-phenylmethanone?
The InChIKey is NSNOTBCAYSDZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-13-16-10-6-5-7-14(16)11-12-18(13)17(19)15-8-3-2-4-9-15/h2-13H,1H3.
What are the key properties of (1-methyl-1H-isoquinolin-2-yl)-phenylmethanone?
(1-methyl-1H-isoquinolin-2-yl)-phenylmethanone has a molecular weight of 249.31 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-1H-isoquinolin-2-yl)-phenylmethanone is sourced from PubChem (CID 14417729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).