6-bromo-N-(3-fluorophenyl)quinazolin-4-amine

C14H9BrFN3 — CID 21002513

IUPAC6-bromo-N-(3-fluorophenyl)quinazolin-4-amine
SMILESFc1cccc(Nc2ncnc3ccc(Br)cc23)c1
InChIInChI=1S/C14H9BrFN3/c15-9-4-5-13-12(6-9)14(18-8-17-13)19-11-3-1-2-10(16)7-11/h1-8H,(H,17,18,19)
InChIKeyALKMBIXEONKULX-UHFFFAOYSA-N
MW318.15 g/mol
LogP4.28
Rot. Bonds2

About 6-bromo-N-(3-fluorophenyl)quinazolin-4-amine

6-bromo-N-(3-fluorophenyl)quinazolin-4-amine (PubChem CID 21002513) has the molecular formula C14H9BrFN3 and a molecular weight of 318.15 g/mol. Its IUPAC name is 6-bromo-N-(3-fluorophenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(3-fluorophenyl)quinazolin-4-amine
PubChem CID21002513
Molecular FormulaC14H9BrFN3
Molecular Weight318.15 g/mol
Exact Mass317.00
IUPAC Name6-bromo-N-(3-fluorophenyl)quinazolin-4-amine
SMILESFc1cccc(Nc2ncnc3ccc(Br)cc23)c1
InChIInChI=1S/C14H9BrFN3/c15-9-4-5-13-12(6-9)14(18-8-17-13)19-11-3-1-2-10(16)7-11/h1-8H,(H,17,18,19)
InChIKeyALKMBIXEONKULX-UHFFFAOYSA-N
XLogP4.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.15
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-fluorophenyl)quinazolin-4-amine?
The IUPAC name of 6-bromo-N-(3-fluorophenyl)quinazolin-4-amine (CID 21002513) is 6-bromo-N-(3-fluorophenyl)quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-(3-fluorophenyl)quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-(3-fluorophenyl)quinazolin-4-amine is Fc1cccc(Nc2ncnc3ccc(Br)cc23)c1.
What is the InChIKey of 6-bromo-N-(3-fluorophenyl)quinazolin-4-amine?
The InChIKey is ALKMBIXEONKULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3/c15-9-4-5-13-12(6-9)14(18-8-17-13)19-11-3-1-2-10(16)7-11/h1-8H,(H,17,18,19).
What are the key properties of 6-bromo-N-(3-fluorophenyl)quinazolin-4-amine?
6-bromo-N-(3-fluorophenyl)quinazolin-4-amine has a molecular weight of 318.15 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-fluorophenyl)quinazolin-4-amine is sourced from PubChem (CID 21002513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).