6,7-dihydroxyquinoline-3-carboxamide

C10H8N2O3 — CID 135399258

IUPAC6,7-dihydroxyquinoline-3-carboxamide
SMILESNC(=O)c1cnc2cc(O)c(O)cc2c1
InChIInChI=1S/C10H8N2O3/c11-10(15)6-1-5-2-8(13)9(14)3-7(5)12-4-6/h1-4,13-14H,(H2,11,15)
InChIKeySYZPEIYCZYLTIH-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.74
Rot. Bonds1

About 6,7-dihydroxyquinoline-3-carboxamide

6,7-dihydroxyquinoline-3-carboxamide (PubChem CID 135399258) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 6,7-dihydroxyquinoline-3-carboxamide.

Molecular Properties

Compound Name6,7-dihydroxyquinoline-3-carboxamide
PubChem CID135399258
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name6,7-dihydroxyquinoline-3-carboxamide
SMILESNC(=O)c1cnc2cc(O)c(O)cc2c1
InChIInChI=1S/C10H8N2O3/c11-10(15)6-1-5-2-8(13)9(14)3-7(5)12-4-6/h1-4,13-14H,(H2,11,15)
InChIKeySYZPEIYCZYLTIH-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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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydroxyquinoline-3-carboxamide?
The IUPAC name of 6,7-dihydroxyquinoline-3-carboxamide (CID 135399258) is 6,7-dihydroxyquinoline-3-carboxamide.
What is the SMILES notation for 6,7-dihydroxyquinoline-3-carboxamide?
The canonical SMILES for 6,7-dihydroxyquinoline-3-carboxamide is NC(=O)c1cnc2cc(O)c(O)cc2c1.
What is the InChIKey of 6,7-dihydroxyquinoline-3-carboxamide?
The InChIKey is SYZPEIYCZYLTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c11-10(15)6-1-5-2-8(13)9(14)3-7(5)12-4-6/h1-4,13-14H,(H2,11,15).
What are the key properties of 6,7-dihydroxyquinoline-3-carboxamide?
6,7-dihydroxyquinoline-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 6,7-dihydroxyquinoline-3-carboxamide is sourced from PubChem (CID 135399258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).