(2R)-2-(4-bromophenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one

C21H17BrN2O2 — CID 1219427

IUPAC(2R)-2-(4-bromophenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H17BrN2O2/c1-26-17-12-10-16(11-13-17)24-20(14-6-8-15(22)9-7-14)23-19-5-3-2-4-18(19)21(24)25/h2-13,20,23H,1H3/t20-/m1/s1
InChIKeyGFGZAUYHZLLIMK-HXUWFJFHSA-N
MW409.28 g/mol
LogP5.23
Rot. Bonds3

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

(2R)-2-(4-bromophenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 1219427) has the molecular formula C21H17BrN2O2 and a molecular weight of 409.28 g/mol. Its IUPAC name is (2R)-2-(4-bromophenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-(4-bromophenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID1219427
Molecular FormulaC21H17BrN2O2
Molecular Weight409.28 g/mol
Exact Mass408.05
IUPAC Name(2R)-2-(4-bromophenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H17BrN2O2/c1-26-17-12-10-16(11-13-17)24-20(14-6-8-15(22)9-7-14)23-19-5-3-2-4-18(19)21(24)25/h2-13,20,23H,1H3/t20-/m1/s1
InChIKeyGFGZAUYHZLLIMK-HXUWFJFHSA-N
XLogP5.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.28
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 3117510
2-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 2901716
(2R)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9011773
N-[4-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
CID 3988866
2-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 25347550
(2S)-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1009267
(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1131639
2-(4-bromophenyl)-3-(3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one
CID 3452020
(2S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9006434
N-[4-[(2R)-2-(4-bromophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
CID 41064297
(2R)-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9006514
(2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 805625

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-2-(4-bromophenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 1219427) is (2R)-2-(4-bromophenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-2-(4-bromophenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-2-(4-bromophenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one is COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Br)cc2)cc1.
What is the InChIKey of (2R)-2-(4-bromophenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is GFGZAUYHZLLIMK-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H17BrN2O2/c1-26-17-12-10-16(11-13-17)24-20(14-6-8-15(22)9-7-14)23-19-5-3-2-4-18(19)21(24)25/h2-13,20,23H,1H3/t20-/m1/s1.
What are the key properties of (2R)-2-(4-bromophenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
(2R)-2-(4-bromophenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 409.28 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 1219427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).