3-[(Z)-[1-acetyl-5-(4-hydroxyphenyl)pyrazolidin-3-ylidene]amino]-2-methylquinazolin-4-one

C20H19N5O3 — CID 135440650

IUPAC3-[(Z)-[1-acetyl-5-(4-hydroxyphenyl)pyrazolidin-3-ylidene]amino]-2-methylquinazolin-4-one
SMILESCC(=O)N1N/C(=N\n2c(C)nc3ccccc3c2=O)CC1c1ccc(O)cc1
InChIInChI=1S/C20H19N5O3/c1-12-21-17-6-4-3-5-16(17)20(28)24(12)22-19-11-18(25(23-19)13(2)26)14-7-9-15(27)10-8-14/h3-10,18,27H,11H2,1-2H3,(H,22,23)
InChIKeyDJZOBFAAOGZROI-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.07
Rot. Bonds2

About 3-[(Z)-[1-acetyl-5-(4-hydroxyphenyl)pyrazolidin-3-ylidene]amino]-2-methylquinazolin-4-one

3-[(Z)-[1-acetyl-5-(4-hydroxyphenyl)pyrazolidin-3-ylidene]amino]-2-methylquinazolin-4-one (PubChem CID 135440650) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 3-[(Z)-[1-acetyl-5-(4-hydroxyphenyl)pyrazolidin-3-ylidene]amino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[(Z)-[1-acetyl-5-(4-hydroxyphenyl)pyrazolidin-3-ylidene]amino]-2-methylquinazolin-4-one
PubChem CID135440650
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name3-[(Z)-[1-acetyl-5-(4-hydroxyphenyl)pyrazolidin-3-ylidene]amino]-2-methylquinazolin-4-one
SMILESCC(=O)N1N/C(=N\n2c(C)nc3ccccc3c2=O)CC1c1ccc(O)cc1
InChIInChI=1S/C20H19N5O3/c1-12-21-17-6-4-3-5-16(17)20(28)24(12)22-19-11-18(25(23-19)13(2)26)14-7-9-15(27)10-8-14/h3-10,18,27H,11H2,1-2H3,(H,22,23)
InChIKeyDJZOBFAAOGZROI-UHFFFAOYSA-N
XLogP2.07
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[(Z)-[1-acetyl-5-(4-hydroxyphenyl)pyrazolidin-3-ylidene]amino]-2-methylquinazolin-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

3-[(Z)-(1-acetyl-5-phenylpyrazolidin-3-ylidene)amino]-6-bromo-2-methylquinazolin-4-one
CID 135542554
3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
2-methyl-3-[(Z)-[(2Z)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,2-diphenylethylidene]amino]quinazolin-4-one
CID 6009700
(2E)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,3-thiazolidin-4-one
CID 137241669
ethyl (1E)-N-(2-methyl-4-oxoquinazolin-3-yl)ethanimidate
CID 13409713
1-[(3E)-5-(4-hydroxyphenyl)-3-[[5-(phenothiazin-10-ylmethyl)-1,3,4-thiadiazol-2-yl]imino]pyrazolidin-1-yl]ethanone
CID 135454957
2-methyl-3-(1-thiophen-2-ylethylideneamino)quinazolin-4-one
CID 4863812
2-methyl-3-(1-pyridin-3-ylethylideneamino)quinazolin-4-one
CID 23937673
3-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 136721220
3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 936423
2-(2-methyl-4-oxoquinazolin-3-yl)acetate
CID 6971388
2-methyl-3-(morpholin-4-ylmethylideneamino)quinazolin-4-one
CID 5125278

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-[1-acetyl-5-(4-hydroxyphenyl)pyrazolidin-3-ylidene]amino]-2-methylquinazolin-4-one?
The IUPAC name of 3-[(Z)-[1-acetyl-5-(4-hydroxyphenyl)pyrazolidin-3-ylidene]amino]-2-methylquinazolin-4-one (CID 135440650) is 3-[(Z)-[1-acetyl-5-(4-hydroxyphenyl)pyrazolidin-3-ylidene]amino]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[(Z)-[1-acetyl-5-(4-hydroxyphenyl)pyrazolidin-3-ylidene]amino]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[(Z)-[1-acetyl-5-(4-hydroxyphenyl)pyrazolidin-3-ylidene]amino]-2-methylquinazolin-4-one is CC(=O)N1N/C(=N\n2c(C)nc3ccccc3c2=O)CC1c1ccc(O)cc1.
What is the InChIKey of 3-[(Z)-[1-acetyl-5-(4-hydroxyphenyl)pyrazolidin-3-ylidene]amino]-2-methylquinazolin-4-one?
The InChIKey is DJZOBFAAOGZROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-12-21-17-6-4-3-5-16(17)20(28)24(12)22-19-11-18(25(23-19)13(2)26)14-7-9-15(27)10-8-14/h3-10,18,27H,11H2,1-2H3,(H,22,23).
What are the key properties of 3-[(Z)-[1-acetyl-5-(4-hydroxyphenyl)pyrazolidin-3-ylidene]amino]-2-methylquinazolin-4-one?
3-[(Z)-[1-acetyl-5-(4-hydroxyphenyl)pyrazolidin-3-ylidene]amino]-2-methylquinazolin-4-one has a molecular weight of 377.40 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-[1-acetyl-5-(4-hydroxyphenyl)pyrazolidin-3-ylidene]amino]-2-methylquinazolin-4-one is sourced from PubChem (CID 135440650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).