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

C19H21NO — CID 142130095

IUPAC2,3-dimethyl-4-phenylisoquinolin-1-one;ethane
SMILESCC.Cc1c(-c2ccccc2)c2ccccc2c(=O)n1C
InChIInChI=1S/C17H15NO.C2H6/c1-12-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17(19)18(12)2;1-2/h3-11H,1-2H3;1-2H3
InChIKeyFZYUOXWJTGFDNJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.54
Rot. Bonds1

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

2,3-dimethyl-4-phenylisoquinolin-1-one;ethane (PubChem CID 142130095) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 2,3-dimethyl-4-phenylisoquinolin-1-one;ethane.

Molecular Properties

Compound Name2,3-dimethyl-4-phenylisoquinolin-1-one;ethane
PubChem CID142130095
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name2,3-dimethyl-4-phenylisoquinolin-1-one;ethane
SMILESCC.Cc1c(-c2ccccc2)c2ccccc2c(=O)n1C
InChIInChI=1S/C17H15NO.C2H6/c1-12-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17(19)18(12)2;1-2/h3-11H,1-2H3;1-2H3
InChIKeyFZYUOXWJTGFDNJ-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(hydroxymethyl)-2,3-dimethyl-4-phenylisoquinolin-1-one
CID 71130369
2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide
CID 15075780
2-methyl-4-phenyl-3-(pyrrolidin-1-ylmethyl)isoquinolin-1-one
CID 22555926
1,6-dimethyl-4,5-diphenylpyridin-2-one
CID 165356437
9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene
CID 143856164
ethane;5,6,11,12-tetraphenyltetracene
CID 91142519
2,5-bis(10-phenylanthracen-9-yl)phenanthridin-6-one
CID 134576418
2,6-dimethyl-3,7-diphenyl-2,6-naphthyridine-1,5-dione
CID 139056191
3-bromo-1-methyl-4-phenylquinolin-2-one
CID 50999162
2,9-dimethyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one
CID 134576404
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
ethane;1,2,3,4,5-pentamethyl-6-phenylbenzene
CID 91414507

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-phenylisoquinolin-1-one;ethane?
The IUPAC name of 2,3-dimethyl-4-phenylisoquinolin-1-one;ethane (CID 142130095) is 2,3-dimethyl-4-phenylisoquinolin-1-one;ethane.
What is the SMILES notation for 2,3-dimethyl-4-phenylisoquinolin-1-one;ethane?
The canonical SMILES for 2,3-dimethyl-4-phenylisoquinolin-1-one;ethane is CC.Cc1c(-c2ccccc2)c2ccccc2c(=O)n1C.
What is the InChIKey of 2,3-dimethyl-4-phenylisoquinolin-1-one;ethane?
The InChIKey is FZYUOXWJTGFDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO.C2H6/c1-12-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17(19)18(12)2;1-2/h3-11H,1-2H3;1-2H3.
What are the key properties of 2,3-dimethyl-4-phenylisoquinolin-1-one;ethane?
2,3-dimethyl-4-phenylisoquinolin-1-one;ethane has a molecular weight of 279.38 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-phenylisoquinolin-1-one;ethane is sourced from PubChem (CID 142130095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).