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

C22H15BrN2O2 — CID 6306933

IUPAC2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(/C=C/c2ccc(Br)cc2)n1-c1ccccc1O
InChIInChI=1S/C22H15BrN2O2/c23-16-12-9-15(10-13-16)11-14-21-24-18-6-2-1-5-17(18)22(27)25(21)19-7-3-4-8-20(19)26/h1-14,26H/b14-11+
InChIKeyMKLBYKIGMAMRLG-SDNWHVSQSA-N
MW419.28 g/mol
LogP5.02
Rot. Bonds3

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

2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one (PubChem CID 6306933) has the molecular formula C22H15BrN2O2 and a molecular weight of 419.28 g/mol. Its IUPAC name is 2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
PubChem CID6306933
Molecular FormulaC22H15BrN2O2
Molecular Weight419.28 g/mol
Exact Mass418.03
IUPAC Name2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(/C=C/c2ccc(Br)cc2)n1-c1ccccc1O
InChIInChI=1S/C22H15BrN2O2/c23-16-12-9-15(10-13-16)11-14-21-24-18-6-2-1-5-17(18)22(27)25(21)19-7-3-4-8-20(19)26/h1-14,26H/b14-11+
InChIKeyMKLBYKIGMAMRLG-SDNWHVSQSA-N
XLogP5.02
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.28
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 3749691
2-[(Z)-2-(2-chlorophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 7334822
2-[2-(4-bromophenyl)ethenyl]-3-(4-nitrophenyl)quinazolin-4-one
CID 2829077
2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
CID 135549536
2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 6074343
3-[2-(trifluoromethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one
CID 3525240
3-(2,4-dimethylphenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 3756781
3-(4-bromophenyl)-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-one
CID 92919266
3-(4-bromophenyl)-2-(2-naphthalen-1-ylethenyl)quinazolin-4-one
CID 554530
3-(2-fluorophenyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one
CID 15994969
3-(2-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one
CID 2902132
[3-[2-[(Z)-2-(4-bromophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]-methoxy-oxoazanium
CID 53239597

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one?
The IUPAC name of 2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one (CID 6306933) is 2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one?
The canonical SMILES for 2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one is O=c1c2ccccc2nc(/C=C/c2ccc(Br)cc2)n1-c1ccccc1O.
What is the InChIKey of 2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one?
The InChIKey is MKLBYKIGMAMRLG-SDNWHVSQSA-N. The full InChI is InChI=1S/C22H15BrN2O2/c23-16-12-9-15(10-13-16)11-14-21-24-18-6-2-1-5-17(18)22(27)25(21)19-7-3-4-8-20(19)26/h1-14,26H/b14-11+.
What are the key properties of 2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one?
2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one has a molecular weight of 419.28 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one is sourced from PubChem (CID 6306933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).