N-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-4-amine

C15H11BrFN3O — CID 86633339

IUPACN-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-4-amine
SMILESCOc1ccc2ncnc(Nc3ccc(Br)cc3F)c2c1
InChIInChI=1S/C15H11BrFN3O/c1-21-10-3-5-13-11(7-10)15(19-8-18-13)20-14-4-2-9(16)6-12(14)17/h2-8H,1H3,(H,18,19,20)
InChIKeyJFZZSPVRCOOHCS-UHFFFAOYSA-N
MW348.18 g/mol
LogP4.28
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-4-amine

N-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-4-amine (PubChem CID 86633339) has the molecular formula C15H11BrFN3O and a molecular weight of 348.18 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-4-amine
PubChem CID86633339
Molecular FormulaC15H11BrFN3O
Molecular Weight348.18 g/mol
Exact Mass347.01
IUPAC NameN-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-4-amine
SMILESCOc1ccc2ncnc(Nc3ccc(Br)cc3F)c2c1
InChIInChI=1S/C15H11BrFN3O/c1-21-10-3-5-13-11(7-10)15(19-8-18-13)20-14-4-2-9(16)6-12(14)17/h2-8H,1H3,(H,18,19,20)
InChIKeyJFZZSPVRCOOHCS-UHFFFAOYSA-N
XLogP4.28
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-4-amine?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-4-amine (CID 86633339) is N-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-4-amine.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-4-amine?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-4-amine is COc1ccc2ncnc(Nc3ccc(Br)cc3F)c2c1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-4-amine?
The InChIKey is JFZZSPVRCOOHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3O/c1-21-10-3-5-13-11(7-10)15(19-8-18-13)20-14-4-2-9(16)6-12(14)17/h2-8H,1H3,(H,18,19,20).
What are the key properties of N-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-4-amine?
N-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-4-amine has a molecular weight of 348.18 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-4-amine is sourced from PubChem (CID 86633339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).