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

C18H17N3O2 — CID 135449584

IUPAC3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-propylquinazolin-4-one
SMILESCCCc1nc2ccccc2c(=O)n1/N=C/c1ccc(O)cc1
InChIInChI=1S/C18H17N3O2/c1-2-5-17-20-16-7-4-3-6-15(16)18(23)21(17)19-12-13-8-10-14(22)11-9-13/h3-4,6-12,22H,2,5H2,1H3/b19-12+
InChIKeyDGJCVAOXDRYQBB-XDHOZWIPSA-N
MW307.35 g/mol
LogP2.94
Rot. Bonds4

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

3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-propylquinazolin-4-one (PubChem CID 135449584) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-propylquinazolin-4-one.

Molecular Properties

Compound Name3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-propylquinazolin-4-one
PubChem CID135449584
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-propylquinazolin-4-one
SMILESCCCc1nc2ccccc2c(=O)n1/N=C/c1ccc(O)cc1
InChIInChI=1S/C18H17N3O2/c1-2-5-17-20-16-7-4-3-6-15(16)18(23)21(17)19-12-13-8-10-14(22)11-9-13/h3-4,6-12,22H,2,5H2,1H3/b19-12+
InChIKeyDGJCVAOXDRYQBB-XDHOZWIPSA-N
XLogP2.94
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
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'}

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Related Compounds

4(3H)-Quinazolinone, 2-(2-hydroxyphenyl)-
CID 135458774
2-(4'-Hydroxyphenyl)quinazolin-4(3H)-one (2)
CID 135405744
2-(4-Hydroxy-phenyl)-8-methyl-3H-quinazolin-4-one
CID 135471354
3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6894412
3-(4-hydroxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5909322
4(3H)-Quinazolinone, 3-(((4-methoxyphenyl)methylene)amino)-2-phenyl-
CID 9571030
3-{[(E)-(2-hydroxyphenyl)methylidene]amino}-2-phenyl-4(3H)-quinazolinone
CID 135539638
2-(3-hydroxyphenyl)quinazolin-4(3H)-one
CID 135567246
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
N-(2-{[(2E)-2-(4-hydroxybenzylidene)hydrazinyl]carbonyl}phenyl)benzamide
CID 135625843
2-methyl-3-[[(E)-(5-methyl-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]quinazolin-4-one
CID 135630512

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-propylquinazolin-4-one?
The IUPAC name of 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-propylquinazolin-4-one (CID 135449584) is 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-propylquinazolin-4-one.
What is the SMILES notation for 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-propylquinazolin-4-one?
The canonical SMILES for 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-propylquinazolin-4-one is CCCc1nc2ccccc2c(=O)n1/N=C/c1ccc(O)cc1.
What is the InChIKey of 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-propylquinazolin-4-one?
The InChIKey is DGJCVAOXDRYQBB-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-2-5-17-20-16-7-4-3-6-15(16)18(23)21(17)19-12-13-8-10-14(22)11-9-13/h3-4,6-12,22H,2,5H2,1H3/b19-12+.
What are the key properties of 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-propylquinazolin-4-one?
3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-propylquinazolin-4-one has a molecular weight of 307.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-propylquinazolin-4-one is sourced from PubChem (CID 135449584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).