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

C22H16N2O3 — CID 135984240

IUPAC3-(4-hydroxyphenyl)-2-[(Z)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(/C=C\c2ccccc2O)n1-c1ccc(O)cc1
InChIInChI=1S/C22H16N2O3/c25-17-12-10-16(11-13-17)24-21(14-9-15-5-1-4-8-20(15)26)23-19-7-3-2-6-18(19)22(24)27/h1-14,25-26H/b14-9-
InChIKeyCTVLQPGLWTXVEU-ZROIWOOFSA-N
MW356.38 g/mol
LogP3.97
Rot. Bonds3

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

3-(4-hydroxyphenyl)-2-[(Z)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one (PubChem CID 135984240) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-[(Z)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-[(Z)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one
PubChem CID135984240
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Name3-(4-hydroxyphenyl)-2-[(Z)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(/C=C\c2ccccc2O)n1-c1ccc(O)cc1
InChIInChI=1S/C22H16N2O3/c25-17-12-10-16(11-13-17)24-21(14-9-15-5-1-4-8-20(15)26)23-19-7-3-2-6-18(19)22(24)27/h1-14,25-26H/b14-9-
InChIKeyCTVLQPGLWTXVEU-ZROIWOOFSA-N
XLogP3.97
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-bromophenyl)-2-(2-naphthalen-1-ylethenyl)quinazolin-4-one
CID 554530
2-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one
CID 92955316
3-(4-bromophenyl)-2-[2-(2-methylphenyl)ethenyl]quinazolin-4-one
CID 3700273
2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 632826
4-[2-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid
CID 135419107
2-[2-(4-hydroxyphenyl)ethenyl]-3-naphthalen-2-ylquinazolin-4-one
CID 3776041
3-(4-chlorophenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one
CID 143457841
2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 67228667
2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2862994
3-(4-ethynylphenyl)-2-[(E)-2-naphthalen-1-ylethenyl]quinazolin-4-one
CID 155527552
2-[(E)-2-naphthalen-1-ylethenyl]-3-(4-nitrophenyl)quinazolin-4-one
CID 5366941
2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-iodo-3-phenylquinazolin-4-one
CID 135422617

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-[(Z)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-(4-hydroxyphenyl)-2-[(Z)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one (CID 135984240) is 3-(4-hydroxyphenyl)-2-[(Z)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-[(Z)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-[(Z)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one is O=c1c2ccccc2nc(/C=C\c2ccccc2O)n1-c1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-[(Z)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one?
The InChIKey is CTVLQPGLWTXVEU-ZROIWOOFSA-N. The full InChI is InChI=1S/C22H16N2O3/c25-17-12-10-16(11-13-17)24-21(14-9-15-5-1-4-8-20(15)26)23-19-7-3-2-6-18(19)22(24)27/h1-14,25-26H/b14-9-.
What are the key properties of 3-(4-hydroxyphenyl)-2-[(Z)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one?
3-(4-hydroxyphenyl)-2-[(Z)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one has a molecular weight of 356.38 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2-[(Z)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 135984240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).