2,3,4-trihydroxy-N-quinolin-2-ylbenzamide

C16H12N2O4 — CID 54185364

IUPAC2,3,4-trihydroxy-N-quinolin-2-ylbenzamide
SMILESO=C(Nc1ccc2ccccc2n1)c1ccc(O)c(O)c1O
InChIInChI=1S/C16H12N2O4/c19-12-7-6-10(14(20)15(12)21)16(22)18-13-8-5-9-3-1-2-4-11(9)17-13/h1-8,19-21H,(H,17,18,22)
InChIKeyPESPLRKUJSBSBR-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.60
Rot. Bonds2

About 2,3,4-trihydroxy-N-quinolin-2-ylbenzamide

2,3,4-trihydroxy-N-quinolin-2-ylbenzamide (PubChem CID 54185364) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2,3,4-trihydroxy-N-quinolin-2-ylbenzamide.

Molecular Properties

Compound Name2,3,4-trihydroxy-N-quinolin-2-ylbenzamide
PubChem CID54185364
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name2,3,4-trihydroxy-N-quinolin-2-ylbenzamide
SMILESO=C(Nc1ccc2ccccc2n1)c1ccc(O)c(O)c1O
InChIInChI=1S/C16H12N2O4/c19-12-7-6-10(14(20)15(12)21)16(22)18-13-8-5-9-3-1-2-4-11(9)17-13/h1-8,19-21H,(H,17,18,22)
InChIKeyPESPLRKUJSBSBR-UHFFFAOYSA-N
XLogP2.60
TPSA102.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

3-(2-hydroxyphenyl)-N-quinolin-2-ylpropanamide
CID 46654912
2-(2-fluorophenyl)-N-quinolin-2-ylacetamide
CID 51193537
2-amino-N-quinolin-2-ylacetamide
CID 54505370
N-quinolin-2-ylnaphthalene-2-carboxamide
CID 46811579
3,5-difluoro-N-quinolin-2-ylbenzamide
CID 51193516
2-bromo-5-fluoro-N-quinolin-2-ylbenzamide
CID 51265955
2-ethyl-N-[3-(quinolin-2-ylcarbamoyl)phenyl]benzamide
CID 68778884
1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375541
3,6-dichloro-N-quinolin-2-ylpyridine-2-carboxamide
CID 47019756
4-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 3407357
2,3,4-trihydroxy-N-(4-phenylphenyl)benzamide
CID 139689164
N-[4,6-bis[(2,3-dihydroxybenzoyl)amino]-1,3,5-triazin-2-yl]-2,3-dihydroxybenzamide
CID 164848329

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trihydroxy-N-quinolin-2-ylbenzamide?
The IUPAC name of 2,3,4-trihydroxy-N-quinolin-2-ylbenzamide (CID 54185364) is 2,3,4-trihydroxy-N-quinolin-2-ylbenzamide.
What is the SMILES notation for 2,3,4-trihydroxy-N-quinolin-2-ylbenzamide?
The canonical SMILES for 2,3,4-trihydroxy-N-quinolin-2-ylbenzamide is O=C(Nc1ccc2ccccc2n1)c1ccc(O)c(O)c1O.
What is the InChIKey of 2,3,4-trihydroxy-N-quinolin-2-ylbenzamide?
The InChIKey is PESPLRKUJSBSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c19-12-7-6-10(14(20)15(12)21)16(22)18-13-8-5-9-3-1-2-4-11(9)17-13/h1-8,19-21H,(H,17,18,22).
What are the key properties of 2,3,4-trihydroxy-N-quinolin-2-ylbenzamide?
2,3,4-trihydroxy-N-quinolin-2-ylbenzamide has a molecular weight of 296.28 g/mol, XLogP of 2.60, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trihydroxy-N-quinolin-2-ylbenzamide is sourced from PubChem (CID 54185364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).