6-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine

C15H12FN3O — CID 46879813

IUPAC6-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine
SMILESCOc1cccc(Nc2ncnc3ccc(F)cc23)c1
InChIInChI=1S/C15H12FN3O/c1-20-12-4-2-3-11(8-12)19-15-13-7-10(16)5-6-14(13)17-9-18-15/h2-9H,1H3,(H,17,18,19)
InChIKeyOATDZCFERGBFGZ-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.52
Rot. Bonds3

About 6-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine

6-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine (PubChem CID 46879813) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 6-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine
PubChem CID46879813
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name6-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine
SMILESCOc1cccc(Nc2ncnc3ccc(F)cc23)c1
InChIInChI=1S/C15H12FN3O/c1-20-12-4-2-3-11(8-12)19-15-13-7-10(16)5-6-14(13)17-9-18-15/h2-9H,1H3,(H,17,18,19)
InChIKeyOATDZCFERGBFGZ-UHFFFAOYSA-N
XLogP3.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine?
The IUPAC name of 6-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine (CID 46879813) is 6-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine is COc1cccc(Nc2ncnc3ccc(F)cc23)c1.
What is the InChIKey of 6-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine?
The InChIKey is OATDZCFERGBFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-20-12-4-2-3-11(8-12)19-15-13-7-10(16)5-6-14(13)17-9-18-15/h2-9H,1H3,(H,17,18,19).
What are the key properties of 6-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine?
6-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine has a molecular weight of 269.28 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 46879813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).