7-fluoro-2-(3-methylphenyl)quinazolin-4-amine

C15H12FN3 — CID 64983694

IUPAC7-fluoro-2-(3-methylphenyl)quinazolin-4-amine
SMILESCc1cccc(-c2nc(N)c3ccc(F)cc3n2)c1
InChIInChI=1S/C15H12FN3/c1-9-3-2-4-10(7-9)15-18-13-8-11(16)5-6-12(13)14(17)19-15/h2-8H,1H3,(H2,17,18,19)
InChIKeyGGURQEDFGQVYDV-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.33
Rot. Bonds1

About 7-fluoro-2-(3-methylphenyl)quinazolin-4-amine

7-fluoro-2-(3-methylphenyl)quinazolin-4-amine (PubChem CID 64983694) has the molecular formula C15H12FN3 and a molecular weight of 253.28 g/mol. Its IUPAC name is 7-fluoro-2-(3-methylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name7-fluoro-2-(3-methylphenyl)quinazolin-4-amine
PubChem CID64983694
Molecular FormulaC15H12FN3
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC Name7-fluoro-2-(3-methylphenyl)quinazolin-4-amine
SMILESCc1cccc(-c2nc(N)c3ccc(F)cc3n2)c1
InChIInChI=1S/C15H12FN3/c1-9-3-2-4-10(7-9)15-18-13-8-11(16)5-6-12(13)14(17)19-15/h2-8H,1H3,(H2,17,18,19)
InChIKeyGGURQEDFGQVYDV-UHFFFAOYSA-N
XLogP3.33
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(3-methylphenyl)quinazolin-4-amine?
The IUPAC name of 7-fluoro-2-(3-methylphenyl)quinazolin-4-amine (CID 64983694) is 7-fluoro-2-(3-methylphenyl)quinazolin-4-amine.
What is the SMILES notation for 7-fluoro-2-(3-methylphenyl)quinazolin-4-amine?
The canonical SMILES for 7-fluoro-2-(3-methylphenyl)quinazolin-4-amine is Cc1cccc(-c2nc(N)c3ccc(F)cc3n2)c1.
What is the InChIKey of 7-fluoro-2-(3-methylphenyl)quinazolin-4-amine?
The InChIKey is GGURQEDFGQVYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3/c1-9-3-2-4-10(7-9)15-18-13-8-11(16)5-6-12(13)14(17)19-15/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 7-fluoro-2-(3-methylphenyl)quinazolin-4-amine?
7-fluoro-2-(3-methylphenyl)quinazolin-4-amine has a molecular weight of 253.28 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(3-methylphenyl)quinazolin-4-amine is sourced from PubChem (CID 64983694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).