2-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-dihydroquinazolin-4-one

C20H14BrClN2O — CID 72793340

IUPAC2-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccccc2Br)N1c1ccc(Cl)cc1
InChIInChI=1S/C20H14BrClN2O/c21-17-7-3-1-5-15(17)19-23-18-8-4-2-6-16(18)20(25)24(19)14-11-9-13(22)10-12-14/h1-12,19,23H
InChIKeyVGYQXDMJVNBVKX-UHFFFAOYSA-N
MW413.70 g/mol
LogP5.87
Rot. Bonds2

About 2-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-dihydroquinazolin-4-one

2-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 72793340) has the molecular formula C20H14BrClN2O and a molecular weight of 413.70 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-dihydroquinazolin-4-one
PubChem CID72793340
Molecular FormulaC20H14BrClN2O
Molecular Weight413.70 g/mol
Exact Mass412.00
IUPAC Name2-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccccc2Br)N1c1ccc(Cl)cc1
InChIInChI=1S/C20H14BrClN2O/c21-17-7-3-1-5-15(17)19-23-18-8-4-2-6-16(18)20(25)24(19)14-11-9-13(22)10-12-14/h1-12,19,23H
InChIKeyVGYQXDMJVNBVKX-UHFFFAOYSA-N
XLogP5.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.70
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 7027439
(2S)-2-(2-bromophenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 1009305
(2S)-3-(4-chlorophenyl)-2-(3,4-dihydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 25408198
3-(4-chlorophenyl)-2-(3-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 2888645
2-(4-chlorophenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
CID 176687571
2-(3-bromo-2-methoxyphenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
CID 176687519
(2S)-2-(5-chloro-2-nitrophenyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 34852320
2-(3,5-dibromo-2-hydroxyphenyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 176687452
N-[4-[(2S)-2-(2-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
CID 40900265
(2R)-2-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one
CID 1035984
(2R)-3-(4-butylphenyl)-2-(2-chlorophenyl)-1,2-dihydroquinazolin-4-one
CID 2253283
2-(5-bromo-2,4-dimethoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 3159958

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-dihydroquinazolin-4-one (CID 72793340) is 2-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2ccccc2Br)N1c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is VGYQXDMJVNBVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrClN2O/c21-17-7-3-1-5-15(17)19-23-18-8-4-2-6-16(18)20(25)24(19)14-11-9-13(22)10-12-14/h1-12,19,23H.
What are the key properties of 2-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-dihydroquinazolin-4-one?
2-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 413.70 g/mol, XLogP of 5.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 72793340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).