4-[2-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid

C23H16N2O4 — CID 135419107

IUPAC4-[2-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-n2c(/C=C\c3ccc(O)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C23H16N2O4/c26-18-12-5-15(6-13-18)7-14-21-24-20-4-2-1-3-19(20)22(27)25(21)17-10-8-16(9-11-17)23(28)29/h1-14,26H,(H,28,29)/b14-7-
InChIKeyMDOFFYPSLKIDGH-AUWJEWJLSA-N
MW384.39 g/mol
LogP3.96
Rot. Bonds4

About 4-[2-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid

4-[2-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid (PubChem CID 135419107) has the molecular formula C23H16N2O4 and a molecular weight of 384.39 g/mol. Its IUPAC name is 4-[2-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[2-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid
PubChem CID135419107
Molecular FormulaC23H16N2O4
Molecular Weight384.39 g/mol
Exact Mass384.11
IUPAC Name4-[2-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-n2c(/C=C\c3ccc(O)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C23H16N2O4/c26-18-12-5-15(6-13-18)7-14-21-24-20-4-2-1-3-19(20)22(27)25(21)17-10-8-16(9-11-17)23(28)29/h1-14,26H,(H,28,29)/b14-7-
InChIKeyMDOFFYPSLKIDGH-AUWJEWJLSA-N
XLogP3.96
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one
CID 92955316
2-[2-(4-hydroxyphenyl)ethenyl]-3-naphthalen-2-ylquinazolin-4-one
CID 3776041
4-[6-iodo-4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]benzoic acid
CID 46901723
3-(4-hydroxyphenyl)-2-[(Z)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 135984240
2-[2-(4-methoxyphenyl)ethenyl]-3-[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]quinazolin-4-one
CID 71960265
2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 67228667
2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-iodo-3-phenylquinazolin-4-one
CID 135422617
2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2957556
3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5336410
3-[2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid
CID 71819828
3-(2,6-dichlorophenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 5168342
2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one
CID 5379493

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid?
The IUPAC name of 4-[2-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid (CID 135419107) is 4-[2-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid.
What is the SMILES notation for 4-[2-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid?
The canonical SMILES for 4-[2-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid is O=C(O)c1ccc(-n2c(/C=C\c3ccc(O)cc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 4-[2-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid?
The InChIKey is MDOFFYPSLKIDGH-AUWJEWJLSA-N. The full InChI is InChI=1S/C23H16N2O4/c26-18-12-5-15(6-13-18)7-14-21-24-20-4-2-1-3-19(20)22(27)25(21)17-10-8-16(9-11-17)23(28)29/h1-14,26H,(H,28,29)/b14-7-.
What are the key properties of 4-[2-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid?
4-[2-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid has a molecular weight of 384.39 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid is sourced from PubChem (CID 135419107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).