3-[bis(4-fluorophenyl)methyl]-6-bromo-2-methylquinazolin-4-one

C22H15BrF2N2O — CID 58187204

IUPAC3-[bis(4-fluorophenyl)methyl]-6-bromo-2-methylquinazolin-4-one
SMILESCc1nc2ccc(Br)cc2c(=O)n1C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H15BrF2N2O/c1-13-26-20-11-6-16(23)12-19(20)22(28)27(13)21(14-2-7-17(24)8-3-14)15-4-9-18(25)10-5-15/h2-12,21H,1H3
InChIKeyFBEUNPNDYRZRDU-UHFFFAOYSA-N
MW441.28 g/mol
LogP5.38
Rot. Bonds3

About 3-[bis(4-fluorophenyl)methyl]-6-bromo-2-methylquinazolin-4-one

3-[bis(4-fluorophenyl)methyl]-6-bromo-2-methylquinazolin-4-one (PubChem CID 58187204) has the molecular formula C22H15BrF2N2O and a molecular weight of 441.28 g/mol. Its IUPAC name is 3-[bis(4-fluorophenyl)methyl]-6-bromo-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[bis(4-fluorophenyl)methyl]-6-bromo-2-methylquinazolin-4-one
PubChem CID58187204
Molecular FormulaC22H15BrF2N2O
Molecular Weight441.28 g/mol
Exact Mass440.03
IUPAC Name3-[bis(4-fluorophenyl)methyl]-6-bromo-2-methylquinazolin-4-one
SMILESCc1nc2ccc(Br)cc2c(=O)n1C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H15BrF2N2O/c1-13-26-20-11-6-16(23)12-19(20)22(28)27(13)21(14-2-7-17(24)8-3-14)15-4-9-18(25)10-5-15/h2-12,21H,1H3
InChIKeyFBEUNPNDYRZRDU-UHFFFAOYSA-N
XLogP5.38
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.28
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-3-[(4-fluorophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126307039
3-benzhydryl-2-methyl-4-oxoquinazoline-6-carbonitrile
CID 58186973
3-(3-bromophenyl)-6-fluoro-2-methylquinazolin-4-one
CID 172568153
CID 88970130
CID 88970130
3-[(2,6-difluorophenyl)-phenylmethyl]-6-(dimethylamino)-2-methylquinazolin-4-one
CID 58187140
3-benzhydryl-2-methyl-7-phenylquinazolin-4-one
CID 58186997
3-benzhydryl-6-(2-hydroxyethoxy)-2-methylquinazolin-4-one
CID 58186963
3-benzhydryl-6-(4-chloro-N-methylanilino)-2-methylquinazolin-4-one
CID 58187033
3-benzhydryl-6-(4-hydroxy-N-methylanilino)-2-methylquinazolin-4-one
CID 44513254
6-bromo-3-[2-(4-fluorophenyl)-2-hydroxyethyl]quinazolin-4-one
CID 51338339
6-bromo-3-[(3-fluorophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126305274
N-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 86215286

Frequently Asked Questions

What is the IUPAC name of 3-[bis(4-fluorophenyl)methyl]-6-bromo-2-methylquinazolin-4-one?
The IUPAC name of 3-[bis(4-fluorophenyl)methyl]-6-bromo-2-methylquinazolin-4-one (CID 58187204) is 3-[bis(4-fluorophenyl)methyl]-6-bromo-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[bis(4-fluorophenyl)methyl]-6-bromo-2-methylquinazolin-4-one?
The canonical SMILES for 3-[bis(4-fluorophenyl)methyl]-6-bromo-2-methylquinazolin-4-one is Cc1nc2ccc(Br)cc2c(=O)n1C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 3-[bis(4-fluorophenyl)methyl]-6-bromo-2-methylquinazolin-4-one?
The InChIKey is FBEUNPNDYRZRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrF2N2O/c1-13-26-20-11-6-16(23)12-19(20)22(28)27(13)21(14-2-7-17(24)8-3-14)15-4-9-18(25)10-5-15/h2-12,21H,1H3.
What are the key properties of 3-[bis(4-fluorophenyl)methyl]-6-bromo-2-methylquinazolin-4-one?
3-[bis(4-fluorophenyl)methyl]-6-bromo-2-methylquinazolin-4-one has a molecular weight of 441.28 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(4-fluorophenyl)methyl]-6-bromo-2-methylquinazolin-4-one is sourced from PubChem (CID 58187204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).