2-(2,6-difluoro-3-methylphenyl)quinazolin-4-amine

C15H11F2N3 — CID 82816437

IUPAC2-(2,6-difluoro-3-methylphenyl)quinazolin-4-amine
SMILESCc1ccc(F)c(-c2nc(N)c3ccccc3n2)c1F
InChIInChI=1S/C15H11F2N3/c1-8-6-7-10(16)12(13(8)17)15-19-11-5-3-2-4-9(11)14(18)20-15/h2-7H,1H3,(H2,18,19,20)
InChIKeyDOWIWPRZLGZZQK-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.47
Rot. Bonds1

About 2-(2,6-difluoro-3-methylphenyl)quinazolin-4-amine

2-(2,6-difluoro-3-methylphenyl)quinazolin-4-amine (PubChem CID 82816437) has the molecular formula C15H11F2N3 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-(2,6-difluoro-3-methylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(2,6-difluoro-3-methylphenyl)quinazolin-4-amine
PubChem CID82816437
Molecular FormulaC15H11F2N3
Molecular Weight271.27 g/mol
Exact Mass271.09
IUPAC Name2-(2,6-difluoro-3-methylphenyl)quinazolin-4-amine
SMILESCc1ccc(F)c(-c2nc(N)c3ccccc3n2)c1F
InChIInChI=1S/C15H11F2N3/c1-8-6-7-10(16)12(13(8)17)15-19-11-5-3-2-4-9(11)14(18)20-15/h2-7H,1H3,(H2,18,19,20)
InChIKeyDOWIWPRZLGZZQK-UHFFFAOYSA-N
XLogP3.47
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3-methylphenyl)quinazolin-4-amine?
The IUPAC name of 2-(2,6-difluoro-3-methylphenyl)quinazolin-4-amine (CID 82816437) is 2-(2,6-difluoro-3-methylphenyl)quinazolin-4-amine.
What is the SMILES notation for 2-(2,6-difluoro-3-methylphenyl)quinazolin-4-amine?
The canonical SMILES for 2-(2,6-difluoro-3-methylphenyl)quinazolin-4-amine is Cc1ccc(F)c(-c2nc(N)c3ccccc3n2)c1F.
What is the InChIKey of 2-(2,6-difluoro-3-methylphenyl)quinazolin-4-amine?
The InChIKey is DOWIWPRZLGZZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3/c1-8-6-7-10(16)12(13(8)17)15-19-11-5-3-2-4-9(11)14(18)20-15/h2-7H,1H3,(H2,18,19,20).
What are the key properties of 2-(2,6-difluoro-3-methylphenyl)quinazolin-4-amine?
2-(2,6-difluoro-3-methylphenyl)quinazolin-4-amine has a molecular weight of 271.27 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3-methylphenyl)quinazolin-4-amine is sourced from PubChem (CID 82816437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).