4-[(5,8-dioxoquinazolin-6-yl)amino]benzamide

C15H10N4O3 — CID 130408035

IUPAC4-[(5,8-dioxoquinazolin-6-yl)amino]benzamide
SMILESNC(=O)c1ccc(NC2=CC(=O)c3ncncc3C2=O)cc1
InChIInChI=1S/C15H10N4O3/c16-15(22)8-1-3-9(4-2-8)19-11-5-12(20)13-10(14(11)21)6-17-7-18-13/h1-7,19H,(H2,16,22)
InChIKeyQLLPXCJESULNLN-UHFFFAOYSA-N
MW294.27 g/mol
LogP0.95
Rot. Bonds3

About 4-[(5,8-dioxoquinazolin-6-yl)amino]benzamide

4-[(5,8-dioxoquinazolin-6-yl)amino]benzamide (PubChem CID 130408035) has the molecular formula C15H10N4O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is 4-[(5,8-dioxoquinazolin-6-yl)amino]benzamide.

Molecular Properties

Compound Name4-[(5,8-dioxoquinazolin-6-yl)amino]benzamide
PubChem CID130408035
Molecular FormulaC15H10N4O3
Molecular Weight294.27 g/mol
Exact Mass294.08
IUPAC Name4-[(5,8-dioxoquinazolin-6-yl)amino]benzamide
SMILESNC(=O)c1ccc(NC2=CC(=O)c3ncncc3C2=O)cc1
InChIInChI=1S/C15H10N4O3/c16-15(22)8-1-3-9(4-2-8)19-11-5-12(20)13-10(14(11)21)6-17-7-18-13/h1-7,19H,(H2,16,22)
InChIKeyQLLPXCJESULNLN-UHFFFAOYSA-N
XLogP0.95
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5,8-dioxoquinazolin-6-yl)amino]benzamide?
The IUPAC name of 4-[(5,8-dioxoquinazolin-6-yl)amino]benzamide (CID 130408035) is 4-[(5,8-dioxoquinazolin-6-yl)amino]benzamide.
What is the SMILES notation for 4-[(5,8-dioxoquinazolin-6-yl)amino]benzamide?
The canonical SMILES for 4-[(5,8-dioxoquinazolin-6-yl)amino]benzamide is NC(=O)c1ccc(NC2=CC(=O)c3ncncc3C2=O)cc1.
What is the InChIKey of 4-[(5,8-dioxoquinazolin-6-yl)amino]benzamide?
The InChIKey is QLLPXCJESULNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O3/c16-15(22)8-1-3-9(4-2-8)19-11-5-12(20)13-10(14(11)21)6-17-7-18-13/h1-7,19H,(H2,16,22).
What are the key properties of 4-[(5,8-dioxoquinazolin-6-yl)amino]benzamide?
4-[(5,8-dioxoquinazolin-6-yl)amino]benzamide has a molecular weight of 294.27 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,8-dioxoquinazolin-6-yl)amino]benzamide is sourced from PubChem (CID 130408035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).