2-methyl-1-oxoisoquinoline-3-carboxamide

C11H10N2O2 — CID 171701094

IUPAC2-methyl-1-oxoisoquinoline-3-carboxamide
SMILESCn1c(C(N)=O)cc2ccccc2c1=O
InChIInChI=1S/C11H10N2O2/c1-13-9(10(12)14)6-7-4-2-3-5-8(7)11(13)15/h2-6H,1H3,(H2,12,14)
InChIKeyPLRJDCDZPOOZHP-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.64
Rot. Bonds1

About 2-methyl-1-oxoisoquinoline-3-carboxamide

2-methyl-1-oxoisoquinoline-3-carboxamide (PubChem CID 171701094) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-methyl-1-oxoisoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-methyl-1-oxoisoquinoline-3-carboxamide
PubChem CID171701094
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-methyl-1-oxoisoquinoline-3-carboxamide
SMILESCn1c(C(N)=O)cc2ccccc2c1=O
InChIInChI=1S/C11H10N2O2/c1-13-9(10(12)14)6-7-4-2-3-5-8(7)11(13)15/h2-6H,1H3,(H2,12,14)
InChIKeyPLRJDCDZPOOZHP-UHFFFAOYSA-N
XLogP0.64
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-oxoisoquinoline-3-carboxamide?
The IUPAC name of 2-methyl-1-oxoisoquinoline-3-carboxamide (CID 171701094) is 2-methyl-1-oxoisoquinoline-3-carboxamide.
What is the SMILES notation for 2-methyl-1-oxoisoquinoline-3-carboxamide?
The canonical SMILES for 2-methyl-1-oxoisoquinoline-3-carboxamide is Cn1c(C(N)=O)cc2ccccc2c1=O.
What is the InChIKey of 2-methyl-1-oxoisoquinoline-3-carboxamide?
The InChIKey is PLRJDCDZPOOZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-13-9(10(12)14)6-7-4-2-3-5-8(7)11(13)15/h2-6H,1H3,(H2,12,14).
What are the key properties of 2-methyl-1-oxoisoquinoline-3-carboxamide?
2-methyl-1-oxoisoquinoline-3-carboxamide has a molecular weight of 202.21 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-oxoisoquinoline-3-carboxamide is sourced from PubChem (CID 171701094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).