6-fluoro-2-(2-methoxyphenyl)-N-methylquinazolin-4-amine

C16H14FN3O — CID 64981420

IUPAC6-fluoro-2-(2-methoxyphenyl)-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2ccccc2OC)nc2ccc(F)cc12
InChIInChI=1S/C16H14FN3O/c1-18-15-12-9-10(17)7-8-13(12)19-16(20-15)11-5-3-4-6-14(11)21-2/h3-9H,1-2H3,(H,18,19,20)
InChIKeyWRXBSVLIQXGKEB-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.49
Rot. Bonds3

About 6-fluoro-2-(2-methoxyphenyl)-N-methylquinazolin-4-amine

6-fluoro-2-(2-methoxyphenyl)-N-methylquinazolin-4-amine (PubChem CID 64981420) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 6-fluoro-2-(2-methoxyphenyl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-2-(2-methoxyphenyl)-N-methylquinazolin-4-amine
PubChem CID64981420
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name6-fluoro-2-(2-methoxyphenyl)-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2ccccc2OC)nc2ccc(F)cc12
InChIInChI=1S/C16H14FN3O/c1-18-15-12-9-10(17)7-8-13(12)19-16(20-15)11-5-3-4-6-14(11)21-2/h3-9H,1-2H3,(H,18,19,20)
InChIKeyWRXBSVLIQXGKEB-UHFFFAOYSA-N
XLogP3.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(2-methoxyphenyl)-N-methylquinazolin-4-amine?
The IUPAC name of 6-fluoro-2-(2-methoxyphenyl)-N-methylquinazolin-4-amine (CID 64981420) is 6-fluoro-2-(2-methoxyphenyl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 6-fluoro-2-(2-methoxyphenyl)-N-methylquinazolin-4-amine?
The canonical SMILES for 6-fluoro-2-(2-methoxyphenyl)-N-methylquinazolin-4-amine is CNc1nc(-c2ccccc2OC)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-(2-methoxyphenyl)-N-methylquinazolin-4-amine?
The InChIKey is WRXBSVLIQXGKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-18-15-12-9-10(17)7-8-13(12)19-16(20-15)11-5-3-4-6-14(11)21-2/h3-9H,1-2H3,(H,18,19,20).
What are the key properties of 6-fluoro-2-(2-methoxyphenyl)-N-methylquinazolin-4-amine?
6-fluoro-2-(2-methoxyphenyl)-N-methylquinazolin-4-amine has a molecular weight of 283.31 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(2-methoxyphenyl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 64981420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).