(2S)-2-(2-bromophenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one

C21H17BrN2O — CID 1009305

IUPAC(2S)-2-(2-bromophenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2Br)c1
InChIInChI=1S/C21H17BrN2O/c1-14-7-6-8-15(13-14)24-20(16-9-2-4-11-18(16)22)23-19-12-5-3-10-17(19)21(24)25/h2-13,20,23H,1H3/t20-/m0/s1
InChIKeyRHXNJZZOYQCMMG-FQEVSTJZSA-N
MW393.28 g/mol
LogP5.53
Rot. Bonds2

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

(2S)-2-(2-bromophenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 1009305) has the molecular formula C21H17BrN2O and a molecular weight of 393.28 g/mol. Its IUPAC name is (2S)-2-(2-bromophenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(2-bromophenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID1009305
Molecular FormulaC21H17BrN2O
Molecular Weight393.28 g/mol
Exact Mass392.05
IUPAC Name(2S)-2-(2-bromophenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2Br)c1
InChIInChI=1S/C21H17BrN2O/c1-14-7-6-8-15(13-14)24-20(16-9-2-4-11-18(16)22)23-19-12-5-3-10-17(19)21(24)25/h2-13,20,23H,1H3/t20-/m0/s1
InChIKeyRHXNJZZOYQCMMG-FQEVSTJZSA-N
XLogP5.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.28
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-(3-methylphenyl)-2-(2-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9011989
(2R)-2-(2-hydroxy-3-methoxyphenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 9007882
2-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-dihydroquinazolin-4-one
CID 72793340
(2S)-2-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 1009074
(2R)-3-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 7027466
2-(4-bromophenyl)-3-(3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one
CID 3452020
2-(5-bromo-2,4-dimethoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 3159958
(2S)-2-(5-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 9006896
2-(2-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 60587937
(2R)-2-(3,5-dibromophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 125492451
2-(3-bromo-2-methoxyphenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
CID 176687519
(2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 805625

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-bromophenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-(2-bromophenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one (CID 1009305) is (2S)-2-(2-bromophenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-(2-bromophenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-(2-bromophenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one is Cc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2Br)c1.
What is the InChIKey of (2S)-2-(2-bromophenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is RHXNJZZOYQCMMG-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H17BrN2O/c1-14-7-6-8-15(13-14)24-20(16-9-2-4-11-18(16)22)23-19-12-5-3-10-17(19)21(24)25/h2-13,20,23H,1H3/t20-/m0/s1.
What are the key properties of (2S)-2-(2-bromophenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one?
(2S)-2-(2-bromophenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 393.28 g/mol, XLogP of 5.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-bromophenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 1009305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).