(2R)-2-(3,5-dibromophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one

C20H14Br2N2O — CID 125492451

IUPAC(2R)-2-(3,5-dibromophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2cc(Br)cc(Br)c2)N1c1ccccc1
InChIInChI=1S/C20H14Br2N2O/c21-14-10-13(11-15(22)12-14)19-23-18-9-5-4-8-17(18)20(25)24(19)16-6-2-1-3-7-16/h1-12,19,23H/t19-/m1/s1
InChIKeyARMNQADNOPFWFA-LJQANCHMSA-N
MW458.15 g/mol
LogP5.98
Rot. Bonds2

About (2R)-2-(3,5-dibromophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one

(2R)-2-(3,5-dibromophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one (PubChem CID 125492451) has the molecular formula C20H14Br2N2O and a molecular weight of 458.15 g/mol. Its IUPAC name is (2R)-2-(3,5-dibromophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-(3,5-dibromophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
PubChem CID125492451
Molecular FormulaC20H14Br2N2O
Molecular Weight458.15 g/mol
Exact Mass455.95
IUPAC Name(2R)-2-(3,5-dibromophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2cc(Br)cc(Br)c2)N1c1ccccc1
InChIInChI=1S/C20H14Br2N2O/c21-14-10-13(11-15(22)12-14)19-23-18-9-5-4-8-17(18)20(25)24(19)16-6-2-1-3-7-16/h1-12,19,23H/t19-/m1/s1
InChIKeyARMNQADNOPFWFA-LJQANCHMSA-N
XLogP5.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.15
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[4-[3-[2-(3-bromophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]phenyl]-5-phenylphenyl]-3,6-diphenyl-1,2-dihydroquinazolin-4-one
CID 145049910
(2S)-3-phenyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 9006944
(2S)-2-(3-chlorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 2507080
(2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 7659372
2-(4-bromophenyl)-3-(3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one
CID 3452020
3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 3112058
(2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 7331947
(2R)-2-(4-methylsulfanylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 804192
4-[(2S)-4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl]benzoate
CID 9006940
(2R)-2-(4-bromophenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1219427
(2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 805625
2-(5-bromo-2,4-dimethoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 3159958

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dibromophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-2-(3,5-dibromophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one (CID 125492451) is (2R)-2-(3,5-dibromophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-2-(3,5-dibromophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-2-(3,5-dibromophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@@H](c2cc(Br)cc(Br)c2)N1c1ccccc1.
What is the InChIKey of (2R)-2-(3,5-dibromophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The InChIKey is ARMNQADNOPFWFA-LJQANCHMSA-N. The full InChI is InChI=1S/C20H14Br2N2O/c21-14-10-13(11-15(22)12-14)19-23-18-9-5-4-8-17(18)20(25)24(19)16-6-2-1-3-7-16/h1-12,19,23H/t19-/m1/s1.
What are the key properties of (2R)-2-(3,5-dibromophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one?
(2R)-2-(3,5-dibromophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one has a molecular weight of 458.15 g/mol, XLogP of 5.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dibromophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 125492451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).