4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide

C10H8N2O3 — CID 54723891

IUPAC4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide
SMILESNC(=O)c1[nH]c(=O)c2ccccc2c1O
InChIInChI=1S/C10H8N2O3/c11-9(14)7-8(13)5-3-1-2-4-6(5)10(15)12-7/h1-4,13H,(H2,11,14)(H,12,15)
InChIKeyIBXVQOAFBNLVDH-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.33
Rot. Bonds1

About 4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide

4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide (PubChem CID 54723891) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide
PubChem CID54723891
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide
SMILESNC(=O)c1[nH]c(=O)c2ccccc2c1O
InChIInChI=1S/C10H8N2O3/c11-9(14)7-8(13)5-3-1-2-4-6(5)10(15)12-7/h1-4,13H,(H2,11,14)(H,12,15)
InChIKeyIBXVQOAFBNLVDH-UHFFFAOYSA-N
XLogP0.33
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide (CID 54723891) is 4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide is NC(=O)c1[nH]c(=O)c2ccccc2c1O.
What is the InChIKey of 4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide?
The InChIKey is IBXVQOAFBNLVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c11-9(14)7-8(13)5-3-1-2-4-6(5)10(15)12-7/h1-4,13H,(H2,11,14)(H,12,15).
What are the key properties of 4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide?
4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide has a molecular weight of 204.19 g/mol, XLogP of 0.33, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide is sourced from PubChem (CID 54723891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).