3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-propylquinazolin-4-one

C18H17N3O3 — CID 135449589

IUPAC3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-propylquinazolin-4-one
SMILESCCCc1nc2ccccc2c(=O)n1/N=C/c1ccc(O)cc1O
InChIInChI=1S/C18H17N3O3/c1-2-5-17-20-15-7-4-3-6-14(15)18(24)21(17)19-11-12-8-9-13(22)10-16(12)23/h3-4,6-11,22-23H,2,5H2,1H3/b19-11+
InChIKeyHFDHOXWNDFGXLZ-YBFXNURJSA-N
MW323.35 g/mol
LogP2.64
Rot. Bonds4

About 3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-propylquinazolin-4-one

3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-propylquinazolin-4-one (PubChem CID 135449589) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-propylquinazolin-4-one.

Molecular Properties

Compound Name3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-propylquinazolin-4-one
PubChem CID135449589
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-propylquinazolin-4-one
SMILESCCCc1nc2ccccc2c(=O)n1/N=C/c1ccc(O)cc1O
InChIInChI=1S/C18H17N3O3/c1-2-5-17-20-15-7-4-3-6-14(15)18(24)21(17)19-11-12-8-9-13(22)10-16(12)23/h3-4,6-11,22-23H,2,5H2,1H3/b19-11+
InChIKeyHFDHOXWNDFGXLZ-YBFXNURJSA-N
XLogP2.64
TPSA87.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-propylquinazolin-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-{[(E)-(2-hydroxyphenyl)methylidene]amino}-2-phenyl-4(3H)-quinazolinone
CID 135539638
3-[(2,4-dihydroxybenzylidene)amino]-2-methyl-4(3H)-quinazolinone
CID 135433285
3-{[(2-Hydroxyphenyl)methylidene]amino}-2-methyl-3,4-dihydroquinazolin-4-one
CID 135446665
3-{[(E)-(2,4-dihydroxyphenyl)methylidene]amino}-2-(phenoxymethyl)quinazolin-4(3H)-one
CID 135650632
3-[[(E)-(2,3-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-2-methylquinazolin-4-one
CID 135676089
2-(2-hydroxyphenyl)-3-phenethylquinazolin-4(3H)-one
CID 135418418
(E)-3-(((2-hydroxynaphthalen-1-yl)methylene)amino)-2-methylquinazolin-4(3H)-one
CID 135443059
3-[[(Z)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-2-propylquinazolin-4-one
CID 135449585
3-{[(E)-(2-hydroxyphenyl)methylidene]amino}-2-propylquinazolin-4(3H)-one
CID 135449601
3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 135562884
3-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]quinazolin-4-one
CID 137007120
3-[(4-methoxybenzylidene)amino]-2-methyl-4(3H)-quinazolinone
CID 6869244

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-propylquinazolin-4-one?
The IUPAC name of 3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-propylquinazolin-4-one (CID 135449589) is 3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-propylquinazolin-4-one.
What is the SMILES notation for 3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-propylquinazolin-4-one?
The canonical SMILES for 3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-propylquinazolin-4-one is CCCc1nc2ccccc2c(=O)n1/N=C/c1ccc(O)cc1O.
What is the InChIKey of 3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-propylquinazolin-4-one?
The InChIKey is HFDHOXWNDFGXLZ-YBFXNURJSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-2-5-17-20-15-7-4-3-6-14(15)18(24)21(17)19-11-12-8-9-13(22)10-16(12)23/h3-4,6-11,22-23H,2,5H2,1H3/b19-11+.
What are the key properties of 3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-propylquinazolin-4-one?
3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-propylquinazolin-4-one has a molecular weight of 323.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-propylquinazolin-4-one is sourced from PubChem (CID 135449589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).