2-(2-methylphenyl)-3-propylisoquinolin-1-one

C19H19NO — CID 176652647

IUPAC2-(2-methylphenyl)-3-propylisoquinolin-1-one
SMILESCCCc1cc2ccccc2c(=O)n1-c1ccccc1C
InChIInChI=1S/C19H19NO/c1-3-8-16-13-15-10-5-6-11-17(15)19(21)20(16)18-12-7-4-9-14(18)2/h4-7,9-13H,3,8H2,1-2H3
InChIKeyDMNJFEPPJJEALV-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.25
Rot. Bonds3

About 2-(2-methylphenyl)-3-propylisoquinolin-1-one

2-(2-methylphenyl)-3-propylisoquinolin-1-one (PubChem CID 176652647) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(2-methylphenyl)-3-propylisoquinolin-1-one.

Molecular Properties

Compound Name2-(2-methylphenyl)-3-propylisoquinolin-1-one
PubChem CID176652647
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name2-(2-methylphenyl)-3-propylisoquinolin-1-one
SMILESCCCc1cc2ccccc2c(=O)n1-c1ccccc1C
InChIInChI=1S/C19H19NO/c1-3-8-16-13-15-10-5-6-11-17(15)19(21)20(16)18-12-7-4-9-14(18)2/h4-7,9-13H,3,8H2,1-2H3
InChIKeyDMNJFEPPJJEALV-UHFFFAOYSA-N
XLogP4.25
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluorophenyl)-8-fluoro-3-propylisoquinolin-1-one
CID 144835434
2-bromo-5-(2-methylphenyl)phenanthridin-6-one
CID 146311346
2-[1-(butylamino)ethyl]-3-(2-methylphenyl)quinazolin-4-one
CID 3634718
3-[[[6-amino-5-(3-fluorobenzenecarboximidoyl)pyrimidin-4-yl]amino]methyl]-2-(2-methylphenyl)isoquinolin-1-one
CID 126756134
7-hydroxy-2-methyl-3-(2-methylphenyl)quinazolin-4-one
CID 5377276
2-ethyl-3-methylsulfanylisoquinolin-1-one
CID 12593115
3-(2-methylphenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one
CID 8873721
8-methyl-2-(2-methylphenyl)-3-propan-2-ylisoquinolin-1-one
CID 123206639
diethyl-[2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]azanium chloride
CID 44656000
1-methyl-3-naphthalen-1-ylquinazoline-2,4-dione
CID 132821171
N-butyl-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2588355
N-butyl-2-methyl-3-(2-methylphenyl)-4-oxoquinazoline-7-carboxamide
CID 3057638

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-3-propylisoquinolin-1-one?
The IUPAC name of 2-(2-methylphenyl)-3-propylisoquinolin-1-one (CID 176652647) is 2-(2-methylphenyl)-3-propylisoquinolin-1-one.
What is the SMILES notation for 2-(2-methylphenyl)-3-propylisoquinolin-1-one?
The canonical SMILES for 2-(2-methylphenyl)-3-propylisoquinolin-1-one is CCCc1cc2ccccc2c(=O)n1-c1ccccc1C.
What is the InChIKey of 2-(2-methylphenyl)-3-propylisoquinolin-1-one?
The InChIKey is DMNJFEPPJJEALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-3-8-16-13-15-10-5-6-11-17(15)19(21)20(16)18-12-7-4-9-14(18)2/h4-7,9-13H,3,8H2,1-2H3.
What are the key properties of 2-(2-methylphenyl)-3-propylisoquinolin-1-one?
2-(2-methylphenyl)-3-propylisoquinolin-1-one has a molecular weight of 277.37 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-3-propylisoquinolin-1-one is sourced from PubChem (CID 176652647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).