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

C23H18N2O3 — CID 135451298

IUPAC2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-n2c(/C=C/c3ccc(O)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C23H18N2O3/c1-28-19-13-9-17(10-14-19)25-22(15-8-16-6-11-18(26)12-7-16)24-21-5-3-2-4-20(21)23(25)27/h2-15,26H,1H3/b15-8+
InChIKeyLFULIRIAUKBLGI-OVCLIPMQSA-N
MW370.41 g/mol
LogP4.27
Rot. Bonds4

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

2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one (PubChem CID 135451298) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one
PubChem CID135451298
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-n2c(/C=C/c3ccc(O)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C23H18N2O3/c1-28-19-13-9-17(10-14-19)25-22(15-8-16-6-11-18(26)12-7-16)24-21-5-3-2-4-20(21)23(25)27/h2-15,26H,1H3/b15-8+
InChIKeyLFULIRIAUKBLGI-OVCLIPMQSA-N
XLogP4.27
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Dictyoquinazol A
CID 637050
2-(4-Methoxyphenyl)quinazolin-4-ol
CID 135430309
2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4(3H)-one
CID 135464616
2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-1H-isoindole-1,3(2H)-dione
CID 1366773
2-Ethyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 11516387
5-Fluoro-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 11675333
3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-8-fluoro-2-methyl-4(3H)-quinazolinone
CID 23151210
6-Methoxy-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 23151224
8-Fluoro-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 23151331
2-Methyl-3-[4-({3-[(3S)-3-methyl-1-piperidinyl]propyl}oxy)phenyl]-4(3H)-quinazolinone
CID 24951038
2-[4-(3-Piperidin-1-ylpropoxy)phenyl]-3-phenyl-4(3H)-quinazolinone
CID 44563063
4(3H)-Quinazolinone, 3-(4-methoxyphenyl)-2-phenyl-
CID 708934

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one (CID 135451298) is 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one is COc1ccc(-n2c(/C=C/c3ccc(O)cc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one?
The InChIKey is LFULIRIAUKBLGI-OVCLIPMQSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-28-19-13-9-17(10-14-19)25-22(15-8-16-6-11-18(26)12-7-16)24-21-5-3-2-4-20(21)23(25)27/h2-15,26H,1H3/b15-8+.
What are the key properties of 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one?
2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one has a molecular weight of 370.41 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 135451298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).