2-methyl-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinazolin-4-one

C18H15N3O — CID 6870343

IUPAC2-methyl-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1/N=C/C=C/c1ccccc1
InChIInChI=1S/C18H15N3O/c1-14-20-17-12-6-5-11-16(17)18(22)21(14)19-13-7-10-15-8-3-2-4-9-15/h2-13H,1H3/b10-7+,19-13+
InChIKeyPVUJIYKVVXWKFX-CIOYMBLNSA-N
MW289.34 g/mol
LogP3.25
Rot. Bonds3

About 2-methyl-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinazolin-4-one

2-methyl-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinazolin-4-one (PubChem CID 6870343) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-methyl-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinazolin-4-one
PubChem CID6870343
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name2-methyl-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1/N=C/C=C/c1ccccc1
InChIInChI=1S/C18H15N3O/c1-14-20-17-12-6-5-11-16(17)18(22)21(14)19-13-7-10-15-8-3-2-4-9-15/h2-13H,1H3/b10-7+,19-13+
InChIKeyPVUJIYKVVXWKFX-CIOYMBLNSA-N
XLogP3.25
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-[(E)-3-phenylprop-2-enylidene]amino]quinazolin-4-one?
The IUPAC name of 2-methyl-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinazolin-4-one (CID 6870343) is 2-methyl-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinazolin-4-one?
The canonical SMILES for 2-methyl-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinazolin-4-one is Cc1nc2ccccc2c(=O)n1/N=C/C=C/c1ccccc1.
What is the InChIKey of 2-methyl-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinazolin-4-one?
The InChIKey is PVUJIYKVVXWKFX-CIOYMBLNSA-N. The full InChI is InChI=1S/C18H15N3O/c1-14-20-17-12-6-5-11-16(17)18(22)21(14)19-13-7-10-15-8-3-2-4-9-15/h2-13H,1H3/b10-7+,19-13+.
What are the key properties of 2-methyl-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinazolin-4-one?
2-methyl-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinazolin-4-one has a molecular weight of 289.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinazolin-4-one is sourced from PubChem (CID 6870343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).