2-propyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one

C21H23N3O4 — CID 1387491

IUPAC2-propyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one
SMILESCCCc1nc2ccccc2c(=O)n1N=Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H23N3O4/c1-5-8-19-23-16-10-7-6-9-15(16)21(25)24(19)22-13-14-11-17(26-2)20(28-4)18(12-14)27-3/h6-7,9-13H,5,8H2,1-4H3
InChIKeyZHPZLFCSPCOMAH-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.26
Rot. Bonds7

About 2-propyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one

2-propyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one (PubChem CID 1387491) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-propyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-propyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one
PubChem CID1387491
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name2-propyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one
SMILESCCCc1nc2ccccc2c(=O)n1N=Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H23N3O4/c1-5-8-19-23-16-10-7-6-9-15(16)21(25)24(19)22-13-14-11-17(26-2)20(28-4)18(12-14)27-3/h6-7,9-13H,5,8H2,1-4H3
InChIKeyZHPZLFCSPCOMAH-UHFFFAOYSA-N
XLogP3.26
TPSA74.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-3-[(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-propylquinazolin-4-one
CID 126308173
6-bromo-3-[[4-[(2R)-butan-2-yl]oxy-3,5-dimethoxyphenyl]methylideneamino]-2-propylquinazolin-4-one
CID 126320755
3-[(Z)-(4-nitrophenyl)methylideneamino]-2-propylquinazolin-4-one
CID 5424130
6-bromo-3-[[4-[(2S)-butan-2-yl]oxy-3-iodo-5-methoxyphenyl]methylideneamino]-2-propylquinazolin-4-one
CID 126304225
3-[[4-[(2R)-butan-2-yl]oxy-3,5-dimethoxyphenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126410410
3-[[3,5-dimethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126408537
3-[(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 126408624
6-bromo-3-[[4-[(4-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-propylquinazolin-4-one
CID 126282691
2-[2-bromo-4-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]-6-methoxyphenoxy]acetamide
CID 126312245
3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 126409051
6-bromo-3-[(3-bromo-5-chloro-4-methoxyphenyl)methylideneamino]-2-propylquinazolin-4-one
CID 126316326
6-bromo-3-[[3-methoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylideneamino]-2-propylquinazolin-4-one
CID 126299834

Frequently Asked Questions

What is the IUPAC name of 2-propyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one?
The IUPAC name of 2-propyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one (CID 1387491) is 2-propyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-propyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one?
The canonical SMILES for 2-propyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one is CCCc1nc2ccccc2c(=O)n1N=Cc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 2-propyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one?
The InChIKey is ZHPZLFCSPCOMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-5-8-19-23-16-10-7-6-9-15(16)21(25)24(19)22-13-14-11-17(26-2)20(28-4)18(12-14)27-3/h6-7,9-13H,5,8H2,1-4H3.
What are the key properties of 2-propyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one?
2-propyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one has a molecular weight of 381.43 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one is sourced from PubChem (CID 1387491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).