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

C19H19N3O4 — CID 6870796

IUPAC2-methyl-3-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one
SMILESCOc1cc(OC)c(OC)cc1/C=N/n1c(C)nc2ccccc2c1=O
InChIInChI=1S/C19H19N3O4/c1-12-21-15-8-6-5-7-14(15)19(23)22(12)20-11-13-9-17(25-3)18(26-4)10-16(13)24-2/h5-11H,1-4H3/b20-11+
InChIKeyPCFQNGYIXUHCHJ-RGVLZGJSSA-N
MW353.38 g/mol
LogP2.61
Rot. Bonds5

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

2-methyl-3-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one (PubChem CID 6870796) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-methyl-3-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one
PubChem CID6870796
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2-methyl-3-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one
SMILESCOc1cc(OC)c(OC)cc1/C=N/n1c(C)nc2ccccc2c1=O
InChIInChI=1S/C19H19N3O4/c1-12-21-15-8-6-5-7-14(15)19(23)22(12)20-11-13-9-17(25-3)18(26-4)10-16(13)24-2/h5-11H,1-4H3/b20-11+
InChIKeyPCFQNGYIXUHCHJ-RGVLZGJSSA-N
XLogP2.61
TPSA74.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one?
The IUPAC name of 2-methyl-3-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one (CID 6870796) is 2-methyl-3-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one?
The canonical SMILES for 2-methyl-3-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one is COc1cc(OC)c(OC)cc1/C=N/n1c(C)nc2ccccc2c1=O.
What is the InChIKey of 2-methyl-3-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one?
The InChIKey is PCFQNGYIXUHCHJ-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12-21-15-8-6-5-7-14(15)19(23)22(12)20-11-13-9-17(25-3)18(26-4)10-16(13)24-2/h5-11H,1-4H3/b20-11+.
What are the key properties of 2-methyl-3-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one?
2-methyl-3-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one has a molecular weight of 353.38 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one is sourced from PubChem (CID 6870796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).