2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one

C15H12N4O2 — CID 135425002

IUPAC2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(N/N=C/c2ccc(O)cc2)nc2ccccc12
InChIInChI=1S/C15H12N4O2/c20-11-7-5-10(6-8-11)9-16-19-15-17-13-4-2-1-3-12(13)14(21)18-15/h1-9,20H,(H2,17,18,19,21)/b16-9+
InChIKeyKIEYJTXJLRUFBJ-CXUHLZMHSA-N
MW280.29 g/mol
LogP2.07
Rot. Bonds3

About 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one

2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one (PubChem CID 135425002) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
PubChem CID135425002
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(N/N=C/c2ccc(O)cc2)nc2ccccc12
InChIInChI=1S/C15H12N4O2/c20-11-7-5-10(6-8-11)9-16-19-15-17-13-4-2-1-3-12(13)14(21)18-15/h1-9,20H,(H2,17,18,19,21)/b16-9+
InChIKeyKIEYJTXJLRUFBJ-CXUHLZMHSA-N
XLogP2.07
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4(3H)-Quinazolinone, 2-(2-hydroxyphenyl)-
CID 135458774
2-(4'-Hydroxyphenyl)quinazolin-4(3H)-one (2)
CID 135405744
3-{[(E)-(2-hydroxyphenyl)methylidene]amino}-2-phenyl-4(3H)-quinazolinone
CID 135539638
2-(3-hydroxyphenyl)quinazolin-4(3H)-one
CID 135567246
3-{[(2-Hydroxyphenyl)methylidene]amino}-2-methyl-3,4-dihydroquinazolin-4-one
CID 135446665
N-(2-{[(2E)-2-(4-hydroxybenzylidene)hydrazinyl]carbonyl}phenyl)benzamide
CID 135625843
2-(4-hydroxybenzyl)quinazolin-4(3H)-one
CID 136026468
3-{[(E)-(2-hydroxyphenyl)methylidene]amino}-2-propylquinazolin-4(3H)-one
CID 135449601
(E)-3-Hydroxy-2-[2-[(2-hydroxy-1-naphthyl)methylene]hydrazino]quinazolin-4(3H)-one
CID 135510946
3-{[(E)-(4-hydroxyphenyl)methylidene]amino}-2-methylquinazolin-4(3H)-one
CID 135415379
3-{[(E)-(4-hydroxyphenyl)methylidene]amino}-2-propylquinazolin-4(3H)-one
CID 135449584
4-Hydroxybenzaldehyde (3-allyl-4-oxo-3,4-dihydro-2-quinazolinyl)hydrazone
CID 135472755

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one (CID 135425002) is 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one is O=c1[nH]c(N/N=C/c2ccc(O)cc2)nc2ccccc12.
What is the InChIKey of 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one?
The InChIKey is KIEYJTXJLRUFBJ-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-11-7-5-10(6-8-11)9-16-19-15-17-13-4-2-1-3-12(13)14(21)18-15/h1-9,20H,(H2,17,18,19,21)/b16-9+.
What are the key properties of 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one?
2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one has a molecular weight of 280.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135425002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).