2,6-dimethyl-1-oxoisoquinoline-3-carboxamide

C12H12N2O2 — CID 173096612

IUPAC2,6-dimethyl-1-oxoisoquinoline-3-carboxamide
SMILESCc1ccc2c(=O)n(C)c(C(N)=O)cc2c1
InChIInChI=1S/C12H12N2O2/c1-7-3-4-9-8(5-7)6-10(11(13)15)14(2)12(9)16/h3-6H,1-2H3,(H2,13,15)
InChIKeyBSGHEKVJFHMJQI-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.95
Rot. Bonds1

About 2,6-dimethyl-1-oxoisoquinoline-3-carboxamide

2,6-dimethyl-1-oxoisoquinoline-3-carboxamide (PubChem CID 173096612) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2,6-dimethyl-1-oxoisoquinoline-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-1-oxoisoquinoline-3-carboxamide
PubChem CID173096612
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2,6-dimethyl-1-oxoisoquinoline-3-carboxamide
SMILESCc1ccc2c(=O)n(C)c(C(N)=O)cc2c1
InChIInChI=1S/C12H12N2O2/c1-7-3-4-9-8(5-7)6-10(11(13)15)14(2)12(9)16/h3-6H,1-2H3,(H2,13,15)
InChIKeyBSGHEKVJFHMJQI-UHFFFAOYSA-N
XLogP0.95
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-oxoisoquinoline-3-carboxamide
CID 171701094
2-(2-amino-2-oxoethyl)-6-methyl-1-oxoisoquinoline-3-carboxylic acid
CID 82366688
2,7-dimethyl-1-oxo-N-propylisoquinoline-3-carboxamide
CID 172892790
6-methyl-1-oxo-2-(2-oxopropyl)isoquinoline-3-carboxylic acid
CID 82366705
2-(methoxymethyl)-6-methyl-1-oxoisoquinoline-3-carboxylic acid
CID 82366704
1-methylpyrrole-2,5-dicarboxamide
CID 141229760
2-(4-aminobutyl)-6-methylisoquinolin-1-one
CID 82063079
6-fluoro-N,N,2-trimethyl-1-oxoisoquinoline-3-carboxamide
CID 171996999
2-acetyl-3,7-dimethylquinazolin-4-one
CID 84784682
2-amino-3,6-dimethylquinazolin-4-one;ethane
CID 155705578
7-fluoro-2-methyl-N-(4-methylphenyl)-1-oxoisoquinoline-3-carboxamide
CID 172904623
2-(6-methyl-1-oxoisoquinolin-2-yl)ethanethioamide
CID 82151328

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-oxoisoquinoline-3-carboxamide?
The IUPAC name of 2,6-dimethyl-1-oxoisoquinoline-3-carboxamide (CID 173096612) is 2,6-dimethyl-1-oxoisoquinoline-3-carboxamide.
What is the SMILES notation for 2,6-dimethyl-1-oxoisoquinoline-3-carboxamide?
The canonical SMILES for 2,6-dimethyl-1-oxoisoquinoline-3-carboxamide is Cc1ccc2c(=O)n(C)c(C(N)=O)cc2c1.
What is the InChIKey of 2,6-dimethyl-1-oxoisoquinoline-3-carboxamide?
The InChIKey is BSGHEKVJFHMJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-7-3-4-9-8(5-7)6-10(11(13)15)14(2)12(9)16/h3-6H,1-2H3,(H2,13,15).
What are the key properties of 2,6-dimethyl-1-oxoisoquinoline-3-carboxamide?
2,6-dimethyl-1-oxoisoquinoline-3-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-oxoisoquinoline-3-carboxamide is sourced from PubChem (CID 173096612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).