1-oxo-2H-isoquinoline-6-carboxamide

C10H8N2O2 — CID 22175306

IUPAC1-oxo-2H-isoquinoline-6-carboxamide
SMILESNC(=O)c1ccc2c(=O)[nH]ccc2c1
InChIInChI=1S/C10H8N2O2/c11-9(13)7-1-2-8-6(5-7)3-4-12-10(8)14/h1-5H,(H2,11,13)(H,12,14)
InChIKeyCSFGKPREILANDL-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.63
Rot. Bonds1

About 1-oxo-2H-isoquinoline-6-carboxamide

1-oxo-2H-isoquinoline-6-carboxamide (PubChem CID 22175306) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 1-oxo-2H-isoquinoline-6-carboxamide.

Molecular Properties

Compound Name1-oxo-2H-isoquinoline-6-carboxamide
PubChem CID22175306
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name1-oxo-2H-isoquinoline-6-carboxamide
SMILESNC(=O)c1ccc2c(=O)[nH]ccc2c1
InChIInChI=1S/C10H8N2O2/c11-9(13)7-1-2-8-6(5-7)3-4-12-10(8)14/h1-5H,(H2,11,13)(H,12,14)
InChIKeyCSFGKPREILANDL-UHFFFAOYSA-N
XLogP0.63
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-2H-isoquinoline-6-carboxamide?
The IUPAC name of 1-oxo-2H-isoquinoline-6-carboxamide (CID 22175306) is 1-oxo-2H-isoquinoline-6-carboxamide.
What is the SMILES notation for 1-oxo-2H-isoquinoline-6-carboxamide?
The canonical SMILES for 1-oxo-2H-isoquinoline-6-carboxamide is NC(=O)c1ccc2c(=O)[nH]ccc2c1.
What is the InChIKey of 1-oxo-2H-isoquinoline-6-carboxamide?
The InChIKey is CSFGKPREILANDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c11-9(13)7-1-2-8-6(5-7)3-4-12-10(8)14/h1-5H,(H2,11,13)(H,12,14).
What are the key properties of 1-oxo-2H-isoquinoline-6-carboxamide?
1-oxo-2H-isoquinoline-6-carboxamide has a molecular weight of 188.19 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-2H-isoquinoline-6-carboxamide is sourced from PubChem (CID 22175306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).