4-hydroxy-3-(4-oxo-3H-quinazolin-2-yl)benzohydrazide

C15H12N4O3 — CID 135794634

IUPAC4-hydroxy-3-(4-oxo-3H-quinazolin-2-yl)benzohydrazide
SMILESNNC(=O)c1ccc(O)c(-c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C15H12N4O3/c16-19-14(21)8-5-6-12(20)10(7-8)13-17-11-4-2-1-3-9(11)15(22)18-13/h1-7,20H,16H2,(H,19,21)(H,17,18,22)
InChIKeyLMDACAFKBGBPPK-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.90
Rot. Bonds2

About 4-hydroxy-3-(4-oxo-3H-quinazolin-2-yl)benzohydrazide

4-hydroxy-3-(4-oxo-3H-quinazolin-2-yl)benzohydrazide (PubChem CID 135794634) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 4-hydroxy-3-(4-oxo-3H-quinazolin-2-yl)benzohydrazide.

Molecular Properties

Compound Name4-hydroxy-3-(4-oxo-3H-quinazolin-2-yl)benzohydrazide
PubChem CID135794634
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name4-hydroxy-3-(4-oxo-3H-quinazolin-2-yl)benzohydrazide
SMILESNNC(=O)c1ccc(O)c(-c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C15H12N4O3/c16-19-14(21)8-5-6-12(20)10(7-8)13-17-11-4-2-1-3-9(11)15(22)18-13/h1-7,20H,16H2,(H,19,21)(H,17,18,22)
InChIKeyLMDACAFKBGBPPK-UHFFFAOYSA-N
XLogP0.90
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydrazinyl-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide
CID 135794633
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-hydroxy-5-(4-oxo-3H-quinazolin-2-yl)benzamide
CID 168552834
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
2-(2-hydroxy-5-methoxy-4-methylphenyl)-3H-quinazolin-4-one
CID 168551471
4-chloro-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide
CID 135995875
2-phenyl-3H-benzimidazole-5-carbohydrazide
CID 17010632
2-[2-hydroxy-5-(6-methoxy-3-pyridinyl)phenyl]-3H-quinazolin-4-one
CID 168553345
2-(3,5-dibromo-2-hydroxyphenyl)-3H-quinazolin-4-one
CID 135579414
ethyl 4-[3-hydroxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]butanoate
CID 168550872
methyl 4-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 135476431
2-amino-3-(4-oxo-3H-quinazolin-2-yl)benzoic acid
CID 162513899

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(4-oxo-3H-quinazolin-2-yl)benzohydrazide?
The IUPAC name of 4-hydroxy-3-(4-oxo-3H-quinazolin-2-yl)benzohydrazide (CID 135794634) is 4-hydroxy-3-(4-oxo-3H-quinazolin-2-yl)benzohydrazide.
What is the SMILES notation for 4-hydroxy-3-(4-oxo-3H-quinazolin-2-yl)benzohydrazide?
The canonical SMILES for 4-hydroxy-3-(4-oxo-3H-quinazolin-2-yl)benzohydrazide is NNC(=O)c1ccc(O)c(-c2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of 4-hydroxy-3-(4-oxo-3H-quinazolin-2-yl)benzohydrazide?
The InChIKey is LMDACAFKBGBPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c16-19-14(21)8-5-6-12(20)10(7-8)13-17-11-4-2-1-3-9(11)15(22)18-13/h1-7,20H,16H2,(H,19,21)(H,17,18,22).
What are the key properties of 4-hydroxy-3-(4-oxo-3H-quinazolin-2-yl)benzohydrazide?
4-hydroxy-3-(4-oxo-3H-quinazolin-2-yl)benzohydrazide has a molecular weight of 296.29 g/mol, XLogP of 0.90, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(4-oxo-3H-quinazolin-2-yl)benzohydrazide is sourced from PubChem (CID 135794634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).