6,7-dihydroxy-N-phenylquinoline-3-carboxamide

C16H12N2O3 — CID 164623415

IUPAC6,7-dihydroxy-N-phenylquinoline-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc2cc(O)c(O)cc2c1
InChIInChI=1S/C16H12N2O3/c19-14-7-10-6-11(9-17-13(10)8-15(14)20)16(21)18-12-4-2-1-3-5-12/h1-9,19-20H,(H,18,21)
InChIKeyKKDBOZHHWYKASH-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.90
Rot. Bonds2

About 6,7-dihydroxy-N-phenylquinoline-3-carboxamide

6,7-dihydroxy-N-phenylquinoline-3-carboxamide (PubChem CID 164623415) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 6,7-dihydroxy-N-phenylquinoline-3-carboxamide.

Molecular Properties

Compound Name6,7-dihydroxy-N-phenylquinoline-3-carboxamide
PubChem CID164623415
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name6,7-dihydroxy-N-phenylquinoline-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc2cc(O)c(O)cc2c1
InChIInChI=1S/C16H12N2O3/c19-14-7-10-6-11(9-17-13(10)8-15(14)20)16(21)18-12-4-2-1-3-5-12/h1-9,19-20H,(H,18,21)
InChIKeyKKDBOZHHWYKASH-UHFFFAOYSA-N
XLogP2.90
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.90
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-dihydroxy-N-phenylquinoline-3-carboxamide?
The IUPAC name of 6,7-dihydroxy-N-phenylquinoline-3-carboxamide (CID 164623415) is 6,7-dihydroxy-N-phenylquinoline-3-carboxamide.
What is the SMILES notation for 6,7-dihydroxy-N-phenylquinoline-3-carboxamide?
The canonical SMILES for 6,7-dihydroxy-N-phenylquinoline-3-carboxamide is O=C(Nc1ccccc1)c1cnc2cc(O)c(O)cc2c1.
What is the InChIKey of 6,7-dihydroxy-N-phenylquinoline-3-carboxamide?
The InChIKey is KKDBOZHHWYKASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-14-7-10-6-11(9-17-13(10)8-15(14)20)16(21)18-12-4-2-1-3-5-12/h1-9,19-20H,(H,18,21).
What are the key properties of 6,7-dihydroxy-N-phenylquinoline-3-carboxamide?
6,7-dihydroxy-N-phenylquinoline-3-carboxamide has a molecular weight of 280.28 g/mol, XLogP of 2.90, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydroxy-N-phenylquinoline-3-carboxamide is sourced from PubChem (CID 164623415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).