3,4-dimethyl-2-phenylisoquinolin-1-one;ethane

C19H21NO — CID 165126064

IUPAC3,4-dimethyl-2-phenylisoquinolin-1-one;ethane
SMILESCC.Cc1c(C)n(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C17H15NO.C2H6/c1-12-13(2)18(14-8-4-3-5-9-14)17(19)16-11-7-6-10-15(12)16;1-2/h3-11H,1-2H3;1-2H3
InChIKeyHICUWJSOFKQYJZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.63
Rot. Bonds1

About 3,4-dimethyl-2-phenylisoquinolin-1-one;ethane

3,4-dimethyl-2-phenylisoquinolin-1-one;ethane (PubChem CID 165126064) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 3,4-dimethyl-2-phenylisoquinolin-1-one;ethane.

Molecular Properties

Compound Name3,4-dimethyl-2-phenylisoquinolin-1-one;ethane
PubChem CID165126064
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name3,4-dimethyl-2-phenylisoquinolin-1-one;ethane
SMILESCC.Cc1c(C)n(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C17H15NO.C2H6/c1-12-13(2)18(14-8-4-3-5-9-14)17(19)16-11-7-6-10-15(12)16;1-2/h3-11H,1-2H3;1-2H3
InChIKeyHICUWJSOFKQYJZ-UHFFFAOYSA-N
XLogP4.63
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-3-phenylquinazolin-4-one
CID 719985
5-chloro-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid
CID 67979466
3-hydroxy-4-(methyliminomethyl)-2-phenylisoquinolin-1-one
CID 4897006
7,17-diphenyl-7,17-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,9,11,13,15(19)-heptaene-6,8,16,18-tetrone
CID 10073329
2,4,5-trimethyl-1-phenylpyrrole-3-carbaldehyde
CID 30030220
ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one
CID 142888475
3,5,7-trimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one
CID 2742833
8-amino-3-methyl-1-oxo-2-phenylisoquinoline-4-carboxylic acid
CID 67493384
2,3-dimethyl-1-phenylindole-5-thiol
CID 143543300
4-hydroxy-1,5-dimethyl-3-phenylimidazol-2-one
CID 13382230
2,3-dimethyl-4-phenylisoquinolin-1-one;ethane
CID 142130095
6-(4-bromophenyl)benzo[d][2]benzazepine-5,7-dione
CID 2177103

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-phenylisoquinolin-1-one;ethane?
The IUPAC name of 3,4-dimethyl-2-phenylisoquinolin-1-one;ethane (CID 165126064) is 3,4-dimethyl-2-phenylisoquinolin-1-one;ethane.
What is the SMILES notation for 3,4-dimethyl-2-phenylisoquinolin-1-one;ethane?
The canonical SMILES for 3,4-dimethyl-2-phenylisoquinolin-1-one;ethane is CC.Cc1c(C)n(-c2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of 3,4-dimethyl-2-phenylisoquinolin-1-one;ethane?
The InChIKey is HICUWJSOFKQYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO.C2H6/c1-12-13(2)18(14-8-4-3-5-9-14)17(19)16-11-7-6-10-15(12)16;1-2/h3-11H,1-2H3;1-2H3.
What are the key properties of 3,4-dimethyl-2-phenylisoquinolin-1-one;ethane?
3,4-dimethyl-2-phenylisoquinolin-1-one;ethane has a molecular weight of 279.38 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-phenylisoquinolin-1-one;ethane is sourced from PubChem (CID 165126064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).