[2-(4-bromophenyl)-4-oxoquinazolin-3-yl] (E)-3-phenylprop-2-enoate

C23H15BrN2O3 — CID 46498300

IUPAC[2-(4-bromophenyl)-4-oxoquinazolin-3-yl] (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)On1c(-c2ccc(Br)cc2)nc2ccccc2c1=O
InChIInChI=1S/C23H15BrN2O3/c24-18-13-11-17(12-14-18)22-25-20-9-5-4-8-19(20)23(28)26(22)29-21(27)15-10-16-6-2-1-3-7-16/h1-15H/b15-10+
InChIKeyBCVMILKHHRDBNA-XNTDXEJSSA-N
MW447.29 g/mol
LogP4.49
Rot. Bonds4

About [2-(4-bromophenyl)-4-oxoquinazolin-3-yl] (E)-3-phenylprop-2-enoate

[2-(4-bromophenyl)-4-oxoquinazolin-3-yl] (E)-3-phenylprop-2-enoate (PubChem CID 46498300) has the molecular formula C23H15BrN2O3 and a molecular weight of 447.29 g/mol. Its IUPAC name is [2-(4-bromophenyl)-4-oxoquinazolin-3-yl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[2-(4-bromophenyl)-4-oxoquinazolin-3-yl] (E)-3-phenylprop-2-enoate
PubChem CID46498300
Molecular FormulaC23H15BrN2O3
Molecular Weight447.29 g/mol
Exact Mass446.03
IUPAC Name[2-(4-bromophenyl)-4-oxoquinazolin-3-yl] (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)On1c(-c2ccc(Br)cc2)nc2ccccc2c1=O
InChIInChI=1S/C23H15BrN2O3/c24-18-13-11-17(12-14-18)22-25-20-9-5-4-8-19(20)23(28)26(22)29-21(27)15-10-16-6-2-1-3-7-16/h1-15H/b15-10+
InChIKeyBCVMILKHHRDBNA-XNTDXEJSSA-N
XLogP4.49
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.29
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-(4-bromophenyl)quinazolin-4-one
CID 3604136
(4-oxo-2-phenylquinazolin-3-yl) 3-methylbenzoate
CID 118737680
[2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 4-methylbenzoate
CID 118737735
2,3-bis(4-bromophenyl)quinazolin-4-one
CID 3707353
[4-bromo-2-[[2-(4-methylphenyl)-4-oxoquinazolin-3-yl]iminomethyl]phenyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 126131388
2-(2-methyl-4-oxoquinazolin-3-yl)ethyl 3-phenylprop-2-enoate
CID 71964243
(4-bromophenyl) 3-phenylprop-2-enoate
CID 759220
[2-(4-tert-butylphenyl)-4-oxoquinazolin-3-yl] 3,4-dimethylbenzoate
CID 23768248
N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 23995928
[2,4-dibromo-6-[[2-(4-nitrophenyl)-4-oxoquinazolin-3-yl]iminomethyl]phenyl] (E)-3-(4-nitrophenyl)prop-2-enoate
CID 126153677
[2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 3,4-dimethylbenzoate
CID 6620611
N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-methylbenzamide
CID 23877246

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-4-oxoquinazolin-3-yl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [2-(4-bromophenyl)-4-oxoquinazolin-3-yl] (E)-3-phenylprop-2-enoate (CID 46498300) is [2-(4-bromophenyl)-4-oxoquinazolin-3-yl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [2-(4-bromophenyl)-4-oxoquinazolin-3-yl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [2-(4-bromophenyl)-4-oxoquinazolin-3-yl] (E)-3-phenylprop-2-enoate is O=C(/C=C/c1ccccc1)On1c(-c2ccc(Br)cc2)nc2ccccc2c1=O.
What is the InChIKey of [2-(4-bromophenyl)-4-oxoquinazolin-3-yl] (E)-3-phenylprop-2-enoate?
The InChIKey is BCVMILKHHRDBNA-XNTDXEJSSA-N. The full InChI is InChI=1S/C23H15BrN2O3/c24-18-13-11-17(12-14-18)22-25-20-9-5-4-8-19(20)23(28)26(22)29-21(27)15-10-16-6-2-1-3-7-16/h1-15H/b15-10+.
What are the key properties of [2-(4-bromophenyl)-4-oxoquinazolin-3-yl] (E)-3-phenylprop-2-enoate?
[2-(4-bromophenyl)-4-oxoquinazolin-3-yl] (E)-3-phenylprop-2-enoate has a molecular weight of 447.29 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)-4-oxoquinazolin-3-yl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 46498300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).