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

C15H12FN3O — CID 64983270

IUPAC7-fluoro-2-(3-methoxyphenyl)quinazolin-4-amine
SMILESCOc1cccc(-c2nc(N)c3ccc(F)cc3n2)c1
InChIInChI=1S/C15H12FN3O/c1-20-11-4-2-3-9(7-11)15-18-13-8-10(16)5-6-12(13)14(17)19-15/h2-8H,1H3,(H2,17,18,19)
InChIKeyXXWJURZCFVLJAP-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.03
Rot. Bonds2

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

7-fluoro-2-(3-methoxyphenyl)quinazolin-4-amine (PubChem CID 64983270) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 7-fluoro-2-(3-methoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name7-fluoro-2-(3-methoxyphenyl)quinazolin-4-amine
PubChem CID64983270
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name7-fluoro-2-(3-methoxyphenyl)quinazolin-4-amine
SMILESCOc1cccc(-c2nc(N)c3ccc(F)cc3n2)c1
InChIInChI=1S/C15H12FN3O/c1-20-11-4-2-3-9(7-11)15-18-13-8-10(16)5-6-12(13)14(17)19-15/h2-8H,1H3,(H2,17,18,19)
InChIKeyXXWJURZCFVLJAP-UHFFFAOYSA-N
XLogP3.03
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(3-methoxyphenyl)quinazolin-4-amine?
The IUPAC name of 7-fluoro-2-(3-methoxyphenyl)quinazolin-4-amine (CID 64983270) is 7-fluoro-2-(3-methoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 7-fluoro-2-(3-methoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 7-fluoro-2-(3-methoxyphenyl)quinazolin-4-amine is COc1cccc(-c2nc(N)c3ccc(F)cc3n2)c1.
What is the InChIKey of 7-fluoro-2-(3-methoxyphenyl)quinazolin-4-amine?
The InChIKey is XXWJURZCFVLJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-20-11-4-2-3-9(7-11)15-18-13-8-10(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-methoxyphenyl)quinazolin-4-amine?
7-fluoro-2-(3-methoxyphenyl)quinazolin-4-amine has a molecular weight of 269.28 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(3-methoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 64983270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).