6,8-dibromo-2-(3-chloro-2-fluorophenyl)quinazolin-4-amine

C14H7Br2ClFN3 — CID 81266901

IUPAC6,8-dibromo-2-(3-chloro-2-fluorophenyl)quinazolin-4-amine
SMILESNc1nc(-c2cccc(Cl)c2F)nc2c(Br)cc(Br)cc12
InChIInChI=1S/C14H7Br2ClFN3/c15-6-4-8-12(9(16)5-6)20-14(21-13(8)19)7-2-1-3-10(17)11(7)18/h1-5H,(H2,19,20,21)
InChIKeyYZWNGYZUUUCCLQ-UHFFFAOYSA-N
MW431.49 g/mol
LogP5.20
Rot. Bonds1

About 6,8-dibromo-2-(3-chloro-2-fluorophenyl)quinazolin-4-amine

6,8-dibromo-2-(3-chloro-2-fluorophenyl)quinazolin-4-amine (PubChem CID 81266901) has the molecular formula C14H7Br2ClFN3 and a molecular weight of 431.49 g/mol. Its IUPAC name is 6,8-dibromo-2-(3-chloro-2-fluorophenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6,8-dibromo-2-(3-chloro-2-fluorophenyl)quinazolin-4-amine
PubChem CID81266901
Molecular FormulaC14H7Br2ClFN3
Molecular Weight431.49 g/mol
Exact Mass428.87
IUPAC Name6,8-dibromo-2-(3-chloro-2-fluorophenyl)quinazolin-4-amine
SMILESNc1nc(-c2cccc(Cl)c2F)nc2c(Br)cc(Br)cc12
InChIInChI=1S/C14H7Br2ClFN3/c15-6-4-8-12(9(16)5-6)20-14(21-13(8)19)7-2-1-3-10(17)11(7)18/h1-5H,(H2,19,20,21)
InChIKeyYZWNGYZUUUCCLQ-UHFFFAOYSA-N
XLogP5.20
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.49
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-2-(3-chloro-2-fluorophenyl)quinazolin-4-amine?
The IUPAC name of 6,8-dibromo-2-(3-chloro-2-fluorophenyl)quinazolin-4-amine (CID 81266901) is 6,8-dibromo-2-(3-chloro-2-fluorophenyl)quinazolin-4-amine.
What is the SMILES notation for 6,8-dibromo-2-(3-chloro-2-fluorophenyl)quinazolin-4-amine?
The canonical SMILES for 6,8-dibromo-2-(3-chloro-2-fluorophenyl)quinazolin-4-amine is Nc1nc(-c2cccc(Cl)c2F)nc2c(Br)cc(Br)cc12.
What is the InChIKey of 6,8-dibromo-2-(3-chloro-2-fluorophenyl)quinazolin-4-amine?
The InChIKey is YZWNGYZUUUCCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Br2ClFN3/c15-6-4-8-12(9(16)5-6)20-14(21-13(8)19)7-2-1-3-10(17)11(7)18/h1-5H,(H2,19,20,21).
What are the key properties of 6,8-dibromo-2-(3-chloro-2-fluorophenyl)quinazolin-4-amine?
6,8-dibromo-2-(3-chloro-2-fluorophenyl)quinazolin-4-amine has a molecular weight of 431.49 g/mol, XLogP of 5.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-2-(3-chloro-2-fluorophenyl)quinazolin-4-amine is sourced from PubChem (CID 81266901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).