3-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one

C17H14N2O — CID 5377595

IUPAC3-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one
SMILESCn1c(/C=C/c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C17H14N2O/c1-19-16(12-11-13-7-3-2-4-8-13)18-15-10-6-5-9-14(15)17(19)20/h2-12H,1H3/b12-11+
InChIKeyYLOUEMIBFMQVRP-VAWYXSNFSA-N
MW262.31 g/mol
LogP3.10
Rot. Bonds2

About 3-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one

3-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one (PubChem CID 5377595) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one
PubChem CID5377595
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name3-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one
SMILESCn1c(/C=C/c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C17H14N2O/c1-19-16(12-11-13-7-3-2-4-8-13)18-15-10-6-5-9-14(15)17(19)20/h2-12H,1H3/b12-11+
InChIKeyYLOUEMIBFMQVRP-VAWYXSNFSA-N
XLogP3.10
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one?
The IUPAC name of 3-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one (CID 5377595) is 3-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one.
What is the SMILES notation for 3-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one?
The canonical SMILES for 3-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one is Cn1c(/C=C/c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one?
The InChIKey is YLOUEMIBFMQVRP-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H14N2O/c1-19-16(12-11-13-7-3-2-4-8-13)18-15-10-6-5-9-14(15)17(19)20/h2-12H,1H3/b12-11+.
What are the key properties of 3-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one?
3-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one has a molecular weight of 262.31 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one is sourced from PubChem (CID 5377595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).