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

C23H17BrN2O2 — CID 92912522

IUPAC2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccccc1-n1c(/C=C\c2cccc(Br)c2)nc2ccccc2c1=O
InChIInChI=1S/C23H17BrN2O2/c1-28-21-12-5-4-11-20(21)26-22(14-13-16-7-6-8-17(24)15-16)25-19-10-3-2-9-18(19)23(26)27/h2-15H,1H3/b14-13-
InChIKeyTWNQSHGFWCLDTF-YPKPFQOOSA-N
MW433.31 g/mol
LogP5.33
Rot. Bonds4

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

2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one (PubChem CID 92912522) has the molecular formula C23H17BrN2O2 and a molecular weight of 433.31 g/mol. Its IUPAC name is 2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
PubChem CID92912522
Molecular FormulaC23H17BrN2O2
Molecular Weight433.31 g/mol
Exact Mass432.05
IUPAC Name2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccccc1-n1c(/C=C\c2cccc(Br)c2)nc2ccccc2c1=O
InChIInChI=1S/C23H17BrN2O2/c1-28-21-12-5-4-11-20(21)26-22(14-13-16-7-6-8-17(24)15-16)25-19-10-3-2-9-18(19)23(26)27/h2-15H,1H3/b14-13-
InChIKeyTWNQSHGFWCLDTF-YPKPFQOOSA-N
XLogP5.33
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.31
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one
CID 6614301
2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(3,5-dimethylphenyl)quinazolin-4-one
CID 20966922
2-[(Z)-2-(2-chlorophenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 7334797
2-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 3749691
6-bromo-3-(2-methoxyphenyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one
CID 2981193
3-(2-methoxyphenyl)-2-[2-(2-nitrophenyl)ethenyl]quinazolin-4-one
CID 2880252
3-(2-methoxyphenyl)-2-[(Z)-2-(2-nitrophenyl)ethenyl]quinazolin-4-one
CID 5345957
3-(5-chloro-2-methoxyphenyl)-2-[(E)-2-(3-fluorophenyl)ethenyl]quinazolin-4-one
CID 20966975
2-[(E)-(5-bromo-1-methyl-2-oxoindol-3-ylidene)methyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 39861694
3-(5-chloro-2-methoxyphenyl)-2-[(Z)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one
CID 20966914
2-[(E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 135584614
2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 6306933

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one (CID 92912522) is 2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one is COc1ccccc1-n1c(/C=C\c2cccc(Br)c2)nc2ccccc2c1=O.
What is the InChIKey of 2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one?
The InChIKey is TWNQSHGFWCLDTF-YPKPFQOOSA-N. The full InChI is InChI=1S/C23H17BrN2O2/c1-28-21-12-5-4-11-20(21)26-22(14-13-16-7-6-8-17(24)15-16)25-19-10-3-2-9-18(19)23(26)27/h2-15H,1H3/b14-13-.
What are the key properties of 2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one?
2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one has a molecular weight of 433.31 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 92912522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).