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

C23H18N2O2 — CID 5336410

IUPAC3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
SMILESCOc1ccc(-n2c(/C=C/c3ccccc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C23H18N2O2/c1-27-19-14-12-18(13-15-19)25-22(16-11-17-7-3-2-4-8-17)24-21-10-6-5-9-20(21)23(25)26/h2-16H,1H3/b16-11+
InChIKeyRBGIIFIUQNIHNF-LFIBNONCSA-N
MW354.41 g/mol
LogP4.56
Rot. Bonds4

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

3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one (PubChem CID 5336410) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
PubChem CID5336410
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
SMILESCOc1ccc(-n2c(/C=C/c3ccccc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C23H18N2O2/c1-27-19-14-12-18(13-15-19)25-22(16-11-17-7-3-2-4-8-17)24-21-10-6-5-9-20(21)23(25)26/h2-16H,1H3/b16-11+
InChIKeyRBGIIFIUQNIHNF-LFIBNONCSA-N
XLogP4.56
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one
CID 5379493
2-[2-(4-methoxyphenyl)ethenyl]-3-[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]quinazolin-4-one
CID 71960265
2-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one
CID 92967429
2-[2-(4-methoxyphenyl)ethenyl]-3-phenylpyrido[2,3-h]quinazolin-4-one
CID 90967896
2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 67228667
2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2957556
3-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethenyl]quinazolin-4-one
CID 2978952
2-amino-3-(4-methoxyphenyl)quinazolin-4-one
CID 71652488
2-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one
CID 92955316
2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 632826
2-[(E)-2-[2-(4-chlorophenyl)-1H-indol-3-yl]ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one
CID 6435974
4-[2-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid
CID 135419107

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one (CID 5336410) is 3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one is COc1ccc(-n2c(/C=C/c3ccccc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one?
The InChIKey is RBGIIFIUQNIHNF-LFIBNONCSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-27-19-14-12-18(13-15-19)25-22(16-11-17-7-3-2-4-8-17)24-21-10-6-5-9-20(21)23(25)26/h2-16H,1H3/b16-11+.
What are the key properties of 3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one?
3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one has a molecular weight of 354.41 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one is sourced from PubChem (CID 5336410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).