7-bromo-3-[(4-chloro-3-fluorophenyl)methyl]quinazolin-4-one

C15H9BrClFN2O — CID 102794573

IUPAC7-bromo-3-[(4-chloro-3-fluorophenyl)methyl]quinazolin-4-one
SMILESO=c1c2ccc(Br)cc2ncn1Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H9BrClFN2O/c16-10-2-3-11-14(6-10)19-8-20(15(11)21)7-9-1-4-12(17)13(18)5-9/h1-6,8H,7H2
InChIKeyTXJYDNITOSHTBE-UHFFFAOYSA-N
MW367.61 g/mol
LogP4.00
Rot. Bonds2

About 7-bromo-3-[(4-chloro-3-fluorophenyl)methyl]quinazolin-4-one

7-bromo-3-[(4-chloro-3-fluorophenyl)methyl]quinazolin-4-one (PubChem CID 102794573) has the molecular formula C15H9BrClFN2O and a molecular weight of 367.61 g/mol. Its IUPAC name is 7-bromo-3-[(4-chloro-3-fluorophenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name7-bromo-3-[(4-chloro-3-fluorophenyl)methyl]quinazolin-4-one
PubChem CID102794573
Molecular FormulaC15H9BrClFN2O
Molecular Weight367.61 g/mol
Exact Mass365.96
IUPAC Name7-bromo-3-[(4-chloro-3-fluorophenyl)methyl]quinazolin-4-one
SMILESO=c1c2ccc(Br)cc2ncn1Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H9BrClFN2O/c16-10-2-3-11-14(6-10)19-8-20(15(11)21)7-9-1-4-12(17)13(18)5-9/h1-6,8H,7H2
InChIKeyTXJYDNITOSHTBE-UHFFFAOYSA-N
XLogP4.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.61
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-3-[(2-chloro-5-fluorophenyl)methyl]quinazolin-4-one
CID 102604909
3-benzyl-7-bromoquinazolin-4-one
CID 23158166
7-bromo-3-[(4-bromo-2-chlorophenyl)methyl]quinazolin-4-one
CID 115626505
6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one
CID 800705
6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one
CID 3414977
7-bromo-3-(thiophen-3-ylmethyl)quinazolin-4-one
CID 115299855
5-amino-6-chloro-3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one
CID 114012811
3-[(7-bromo-4-oxoquinazolin-3-yl)methyl]benzonitrile
CID 78961074
7-chloro-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 853041
5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]pyridin-2-one
CID 102794540
7-bromo-3-[(1-ethylpyrazol-4-yl)methyl]quinazolin-4-one
CID 115299850
3-[(4-aminophenyl)methyl]-6-bromoquinazolin-4-one
CID 62055159

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-[(4-chloro-3-fluorophenyl)methyl]quinazolin-4-one?
The IUPAC name of 7-bromo-3-[(4-chloro-3-fluorophenyl)methyl]quinazolin-4-one (CID 102794573) is 7-bromo-3-[(4-chloro-3-fluorophenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 7-bromo-3-[(4-chloro-3-fluorophenyl)methyl]quinazolin-4-one?
The canonical SMILES for 7-bromo-3-[(4-chloro-3-fluorophenyl)methyl]quinazolin-4-one is O=c1c2ccc(Br)cc2ncn1Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 7-bromo-3-[(4-chloro-3-fluorophenyl)methyl]quinazolin-4-one?
The InChIKey is TXJYDNITOSHTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClFN2O/c16-10-2-3-11-14(6-10)19-8-20(15(11)21)7-9-1-4-12(17)13(18)5-9/h1-6,8H,7H2.
What are the key properties of 7-bromo-3-[(4-chloro-3-fluorophenyl)methyl]quinazolin-4-one?
7-bromo-3-[(4-chloro-3-fluorophenyl)methyl]quinazolin-4-one has a molecular weight of 367.61 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-[(4-chloro-3-fluorophenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 102794573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).