6-chloro-2-(2-fluoro-5-methylphenyl)quinazolin-4-amine

C15H11ClFN3 — CID 64983529

IUPAC6-chloro-2-(2-fluoro-5-methylphenyl)quinazolin-4-amine
SMILESCc1ccc(F)c(-c2nc(N)c3cc(Cl)ccc3n2)c1
InChIInChI=1S/C15H11ClFN3/c1-8-2-4-12(17)10(6-8)15-19-13-5-3-9(16)7-11(13)14(18)20-15/h2-7H,1H3,(H2,18,19,20)
InChIKeyDPMCTVVOJYZMPZ-UHFFFAOYSA-N
MW287.73 g/mol
LogP3.98
Rot. Bonds1

About 6-chloro-2-(2-fluoro-5-methylphenyl)quinazolin-4-amine

6-chloro-2-(2-fluoro-5-methylphenyl)quinazolin-4-amine (PubChem CID 64983529) has the molecular formula C15H11ClFN3 and a molecular weight of 287.73 g/mol. Its IUPAC name is 6-chloro-2-(2-fluoro-5-methylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(2-fluoro-5-methylphenyl)quinazolin-4-amine
PubChem CID64983529
Molecular FormulaC15H11ClFN3
Molecular Weight287.73 g/mol
Exact Mass287.06
IUPAC Name6-chloro-2-(2-fluoro-5-methylphenyl)quinazolin-4-amine
SMILESCc1ccc(F)c(-c2nc(N)c3cc(Cl)ccc3n2)c1
InChIInChI=1S/C15H11ClFN3/c1-8-2-4-12(17)10(6-8)15-19-13-5-3-9(16)7-11(13)14(18)20-15/h2-7H,1H3,(H2,18,19,20)
InChIKeyDPMCTVVOJYZMPZ-UHFFFAOYSA-N
XLogP3.98
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-fluoro-5-methylphenyl)quinazolin-4-amine?
The IUPAC name of 6-chloro-2-(2-fluoro-5-methylphenyl)quinazolin-4-amine (CID 64983529) is 6-chloro-2-(2-fluoro-5-methylphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-chloro-2-(2-fluoro-5-methylphenyl)quinazolin-4-amine?
The canonical SMILES for 6-chloro-2-(2-fluoro-5-methylphenyl)quinazolin-4-amine is Cc1ccc(F)c(-c2nc(N)c3cc(Cl)ccc3n2)c1.
What is the InChIKey of 6-chloro-2-(2-fluoro-5-methylphenyl)quinazolin-4-amine?
The InChIKey is DPMCTVVOJYZMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3/c1-8-2-4-12(17)10(6-8)15-19-13-5-3-9(16)7-11(13)14(18)20-15/h2-7H,1H3,(H2,18,19,20).
What are the key properties of 6-chloro-2-(2-fluoro-5-methylphenyl)quinazolin-4-amine?
6-chloro-2-(2-fluoro-5-methylphenyl)quinazolin-4-amine has a molecular weight of 287.73 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-fluoro-5-methylphenyl)quinazolin-4-amine is sourced from PubChem (CID 64983529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).