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

C16H11BrFN3O — CID 126305274

IUPAC6-bromo-3-[(3-fluorophenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(F)c1
InChIInChI=1S/C16H11BrFN3O/c1-10-20-15-6-5-12(17)8-14(15)16(22)21(10)19-9-11-3-2-4-13(18)7-11/h2-9H,1H3
InChIKeyQWPYWNYQQOJDNF-UHFFFAOYSA-N
MW360.19 g/mol
LogP3.49
Rot. Bonds2

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

6-bromo-3-[(3-fluorophenyl)methylideneamino]-2-methylquinazolin-4-one (PubChem CID 126305274) has the molecular formula C16H11BrFN3O and a molecular weight of 360.19 g/mol. Its IUPAC name is 6-bromo-3-[(3-fluorophenyl)methylideneamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[(3-fluorophenyl)methylideneamino]-2-methylquinazolin-4-one
PubChem CID126305274
Molecular FormulaC16H11BrFN3O
Molecular Weight360.19 g/mol
Exact Mass359.01
IUPAC Name6-bromo-3-[(3-fluorophenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(F)c1
InChIInChI=1S/C16H11BrFN3O/c1-10-20-15-6-5-12(17)8-14(15)16(22)21(10)19-9-11-3-2-4-13(18)7-11/h2-9H,1H3
InChIKeyQWPYWNYQQOJDNF-UHFFFAOYSA-N
XLogP3.49
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.19
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-bromo-3-[(4-fluorophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126307039
6-bromo-2-tert-butyl-3-[(3-fluorophenyl)methylideneamino]quinazolin-4-one
CID 126280113
2-[3-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]-N-(3-fluorophenyl)acetamide
CID 126287421
6-bromo-3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 137125807
6-bromo-3-[(4-chlorophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 74406616
6-bromo-3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 135926154
2-[3-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetonitrile
CID 126288296
6-bromo-3-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126304154
6-bromo-3-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 137125747
6-bromo-3-[[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126287492
6-bromo-3-[(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126288143
3-[(E)-(4-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6863150

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(3-fluorophenyl)methylideneamino]-2-methylquinazolin-4-one?
The IUPAC name of 6-bromo-3-[(3-fluorophenyl)methylideneamino]-2-methylquinazolin-4-one (CID 126305274) is 6-bromo-3-[(3-fluorophenyl)methylideneamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[(3-fluorophenyl)methylideneamino]-2-methylquinazolin-4-one?
The canonical SMILES for 6-bromo-3-[(3-fluorophenyl)methylideneamino]-2-methylquinazolin-4-one is Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(F)c1.
What is the InChIKey of 6-bromo-3-[(3-fluorophenyl)methylideneamino]-2-methylquinazolin-4-one?
The InChIKey is QWPYWNYQQOJDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFN3O/c1-10-20-15-6-5-12(17)8-14(15)16(22)21(10)19-9-11-3-2-4-13(18)7-11/h2-9H,1H3.
What are the key properties of 6-bromo-3-[(3-fluorophenyl)methylideneamino]-2-methylquinazolin-4-one?
6-bromo-3-[(3-fluorophenyl)methylideneamino]-2-methylquinazolin-4-one has a molecular weight of 360.19 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(3-fluorophenyl)methylideneamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 126305274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).