2,3-dimethylisoquinolin-1-one;ethane

C13H17NO — CID 91490725

IUPAC2,3-dimethylisoquinolin-1-one;ethane
SMILESCC.Cc1cc2ccccc2c(=O)n1C
InChIInChI=1S/C11H11NO.C2H6/c1-8-7-9-5-3-4-6-10(9)11(13)12(8)2;1-2/h3-7H,1-2H3;1-2H3
InChIKeyHYIUSQCCRTYVKC-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.87
Rot. Bonds

About 2,3-dimethylisoquinolin-1-one;ethane

2,3-dimethylisoquinolin-1-one;ethane (PubChem CID 91490725) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2,3-dimethylisoquinolin-1-one;ethane.

Molecular Properties

Compound Name2,3-dimethylisoquinolin-1-one;ethane
PubChem CID91490725
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2,3-dimethylisoquinolin-1-one;ethane
SMILESCC.Cc1cc2ccccc2c(=O)n1C
InChIInChI=1S/C11H11NO.C2H6/c1-8-7-9-5-3-4-6-10(9)11(13)12(8)2;1-2/h3-7H,1-2H3;1-2H3
InChIKeyHYIUSQCCRTYVKC-UHFFFAOYSA-N
XLogP2.87
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-methyl-3-propan-2-ylisoquinolin-1-one
CID 144871823
5-hydroxy-2,3-dimethylisoquinolin-1-one
CID 115063617
2-methyl-1-oxoisoquinoline-3-carboxamide
CID 171701094
3-(4-methoxyphenyl)-2-methylisoquinolin-1-one
CID 1233900
ethane;2-(4-methylphenyl)isoquinolin-1-one
CID 91168676
6,7-dimethoxy-2,3-dimethylisoquinolin-1-one
CID 5257820
12,33-dimethyl-12,33-diazanonacyclo[33.7.1.114,22.02,11.05,10.015,20.023,32.026,31.036,41]tetratetraconta-1(42),2(11),3,5,7,9,14(44),15,17,19,21,23(32),24,26,28,30,35(43),36,38,40-icosaene-13,34-dione
CID 58568504
ethane;3-methyl-2H-isoquinolin-1-one
CID 144810835
3-methyl-1H-benzo[g]quinazoline-2,4-dione
CID 22960616
2,3-dimethylbenzo[g]quinazolin-4-one
CID 95562416
2-(6-fluorocyclohexa-1,5-dien-1-yl)-3-methylisoquinolin-1-one
CID 144810885
2-methyl-1-oxo-N-propylisoquinoline-3-carboxamide
CID 171701439

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylisoquinolin-1-one;ethane?
The IUPAC name of 2,3-dimethylisoquinolin-1-one;ethane (CID 91490725) is 2,3-dimethylisoquinolin-1-one;ethane.
What is the SMILES notation for 2,3-dimethylisoquinolin-1-one;ethane?
The canonical SMILES for 2,3-dimethylisoquinolin-1-one;ethane is CC.Cc1cc2ccccc2c(=O)n1C.
What is the InChIKey of 2,3-dimethylisoquinolin-1-one;ethane?
The InChIKey is HYIUSQCCRTYVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO.C2H6/c1-8-7-9-5-3-4-6-10(9)11(13)12(8)2;1-2/h3-7H,1-2H3;1-2H3.
What are the key properties of 2,3-dimethylisoquinolin-1-one;ethane?
2,3-dimethylisoquinolin-1-one;ethane has a molecular weight of 203.28 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylisoquinolin-1-one;ethane is sourced from PubChem (CID 91490725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).