7-bromo-5-(3-fluorophenyl)-8-methoxy-N-methylquinazolin-2-amine

C16H13BrFN3O — CID 23157739

IUPAC7-bromo-5-(3-fluorophenyl)-8-methoxy-N-methylquinazolin-2-amine
SMILESCNc1ncc2c(-c3cccc(F)c3)cc(Br)c(OC)c2n1
InChIInChI=1S/C16H13BrFN3O/c1-19-16-20-8-12-11(9-4-3-5-10(18)6-9)7-13(17)15(22-2)14(12)21-16/h3-8H,1-2H3,(H,19,20,21)
InChIKeyWGVODLZVKLIZFT-UHFFFAOYSA-N
MW362.20 g/mol
LogP4.25
Rot. Bonds3

About 7-bromo-5-(3-fluorophenyl)-8-methoxy-N-methylquinazolin-2-amine

7-bromo-5-(3-fluorophenyl)-8-methoxy-N-methylquinazolin-2-amine (PubChem CID 23157739) has the molecular formula C16H13BrFN3O and a molecular weight of 362.20 g/mol. Its IUPAC name is 7-bromo-5-(3-fluorophenyl)-8-methoxy-N-methylquinazolin-2-amine.

Molecular Properties

Compound Name7-bromo-5-(3-fluorophenyl)-8-methoxy-N-methylquinazolin-2-amine
PubChem CID23157739
Molecular FormulaC16H13BrFN3O
Molecular Weight362.20 g/mol
Exact Mass361.02
IUPAC Name7-bromo-5-(3-fluorophenyl)-8-methoxy-N-methylquinazolin-2-amine
SMILESCNc1ncc2c(-c3cccc(F)c3)cc(Br)c(OC)c2n1
InChIInChI=1S/C16H13BrFN3O/c1-19-16-20-8-12-11(9-4-3-5-10(18)6-9)7-13(17)15(22-2)14(12)21-16/h3-8H,1-2H3,(H,19,20,21)
InChIKeyWGVODLZVKLIZFT-UHFFFAOYSA-N
XLogP4.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.20
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-(3-fluorophenyl)-8-methoxy-N-methylquinazolin-2-amine?
The IUPAC name of 7-bromo-5-(3-fluorophenyl)-8-methoxy-N-methylquinazolin-2-amine (CID 23157739) is 7-bromo-5-(3-fluorophenyl)-8-methoxy-N-methylquinazolin-2-amine.
What is the SMILES notation for 7-bromo-5-(3-fluorophenyl)-8-methoxy-N-methylquinazolin-2-amine?
The canonical SMILES for 7-bromo-5-(3-fluorophenyl)-8-methoxy-N-methylquinazolin-2-amine is CNc1ncc2c(-c3cccc(F)c3)cc(Br)c(OC)c2n1.
What is the InChIKey of 7-bromo-5-(3-fluorophenyl)-8-methoxy-N-methylquinazolin-2-amine?
The InChIKey is WGVODLZVKLIZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3O/c1-19-16-20-8-12-11(9-4-3-5-10(18)6-9)7-13(17)15(22-2)14(12)21-16/h3-8H,1-2H3,(H,19,20,21).
What are the key properties of 7-bromo-5-(3-fluorophenyl)-8-methoxy-N-methylquinazolin-2-amine?
7-bromo-5-(3-fluorophenyl)-8-methoxy-N-methylquinazolin-2-amine has a molecular weight of 362.20 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-(3-fluorophenyl)-8-methoxy-N-methylquinazolin-2-amine is sourced from PubChem (CID 23157739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).