7,8-dihydroxyisoquinoline-3-carboxamide

C10H8N2O3 — CID 135468746

IUPAC7,8-dihydroxyisoquinoline-3-carboxamide
SMILESNC(=O)c1cc2ccc(O)c(O)c2cn1
InChIInChI=1S/C10H8N2O3/c11-10(15)7-3-5-1-2-8(13)9(14)6(5)4-12-7/h1-4,13-14H,(H2,11,15)
InChIKeyFIBTUUYKTWYAAG-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.74
Rot. Bonds1

About 7,8-dihydroxyisoquinoline-3-carboxamide

7,8-dihydroxyisoquinoline-3-carboxamide (PubChem CID 135468746) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 7,8-dihydroxyisoquinoline-3-carboxamide.

Molecular Properties

Compound Name7,8-dihydroxyisoquinoline-3-carboxamide
PubChem CID135468746
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name7,8-dihydroxyisoquinoline-3-carboxamide
SMILESNC(=O)c1cc2ccc(O)c(O)c2cn1
InChIInChI=1S/C10H8N2O3/c11-10(15)7-3-5-1-2-8(13)9(14)6(5)4-12-7/h1-4,13-14H,(H2,11,15)
InChIKeyFIBTUUYKTWYAAG-UHFFFAOYSA-N
XLogP0.74
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-Benzyl-7,8-dihydroxy-3-isoquinolinecarboxamide
CID 135408978
Methyl 7,8-dihydroxyisoquinoline-3-carboxylate
CID 135409035
3-Isoquinolinecarboxamide, 6,7-dihydroxy-N-(phenylmethyl)-
CID 135408977
7,8-Dihydroxy-N-phenethylisoquinoline-3-carboxamide
CID 135478626
7,8-dihydroxy-N-phenyl-isoquinoline-3-carboxamide
CID 135417010
(6,7-Dihydroxy-isoquinolin-1-yl)-(3,4-dihydroxy-phenyl)-methanone
CID 135404272
6,7-Dihydroxyquinoline-3-carboxamide
CID 135399258
Methyl 6,7-dihydroxyisoquinoline-3-carboxylate
CID 135465052
6,7-Dihydroxyisoquinoline-3-carboxamide
CID 135484881
6,7-dihydroxy-N-phenyl-isoquinoline-3-carboxamide
CID 135438239
3-Isoquinolinecarboxylic acid, 7,8-dihydroxy-, methyl ester, hydrochloride
CID 135499358
N-(3-hydroxyphenyl)isoquinoline-1-carboxamide
CID 61690016

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydroxyisoquinoline-3-carboxamide?
The IUPAC name of 7,8-dihydroxyisoquinoline-3-carboxamide (CID 135468746) is 7,8-dihydroxyisoquinoline-3-carboxamide.
What is the SMILES notation for 7,8-dihydroxyisoquinoline-3-carboxamide?
The canonical SMILES for 7,8-dihydroxyisoquinoline-3-carboxamide is NC(=O)c1cc2ccc(O)c(O)c2cn1.
What is the InChIKey of 7,8-dihydroxyisoquinoline-3-carboxamide?
The InChIKey is FIBTUUYKTWYAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c11-10(15)7-3-5-1-2-8(13)9(14)6(5)4-12-7/h1-4,13-14H,(H2,11,15).
What are the key properties of 7,8-dihydroxyisoquinoline-3-carboxamide?
7,8-dihydroxyisoquinoline-3-carboxamide has a molecular weight of 204.19 g/mol, XLogP of 0.74, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydroxyisoquinoline-3-carboxamide is sourced from PubChem (CID 135468746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).