4-(3-fluoro-4-methylphenoxy)-N-methylquinazolin-2-amine

C16H14FN3O — CID 107171754

IUPAC4-(3-fluoro-4-methylphenoxy)-N-methylquinazolin-2-amine
SMILESCNc1nc(Oc2ccc(C)c(F)c2)c2ccccc2n1
InChIInChI=1S/C16H14FN3O/c1-10-7-8-11(9-13(10)17)21-15-12-5-3-4-6-14(12)19-16(18-2)20-15/h3-9H,1-2H3,(H,18,19,20)
InChIKeyRVIXEXWEQJLDJT-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.91
Rot. Bonds3

About 4-(3-fluoro-4-methylphenoxy)-N-methylquinazolin-2-amine

4-(3-fluoro-4-methylphenoxy)-N-methylquinazolin-2-amine (PubChem CID 107171754) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 4-(3-fluoro-4-methylphenoxy)-N-methylquinazolin-2-amine.

Molecular Properties

Compound Name4-(3-fluoro-4-methylphenoxy)-N-methylquinazolin-2-amine
PubChem CID107171754
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name4-(3-fluoro-4-methylphenoxy)-N-methylquinazolin-2-amine
SMILESCNc1nc(Oc2ccc(C)c(F)c2)c2ccccc2n1
InChIInChI=1S/C16H14FN3O/c1-10-7-8-11(9-13(10)17)21-15-12-5-3-4-6-14(12)19-16(18-2)20-15/h3-9H,1-2H3,(H,18,19,20)
InChIKeyRVIXEXWEQJLDJT-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-difluorophenoxy)-N-methylquinazolin-2-amine
CID 80874437
[4-(3,4-dimethylphenoxy)quinazolin-2-yl]hydrazine
CID 80909907
4-(2,4-dimethylphenoxy)-N-methylquinazolin-2-amine
CID 80866027
4-(4-bromo-2-fluorophenoxy)-N-methylquinazolin-2-amine
CID 80874999
[4-(4-chloro-3-fluorophenoxy)quinazolin-2-yl]hydrazine
CID 82719515
N-methyl-4-pyridin-3-yloxyquinazolin-2-amine
CID 80881479
4-N-(3-fluoro-4-methylphenyl)-2-N-methylquinazoline-2,4-diamine
CID 80750621
4-[(5-chloro-3-pyridinyl)oxy]-N-methylquinazolin-2-amine
CID 80877516
3,5-dichloro-6-(3-fluoro-4-methylphenoxy)-N-methylpyridin-2-amine
CID 107171841
4-(2-bromo-4-methylphenoxy)-N-methylquinazolin-2-amine
CID 80846328
N-methyl-4-[(2-methyl-3-pyridinyl)oxy]quinazolin-2-amine
CID 80877986
4-(2-bromo-4-chlorophenoxy)-N-methylquinazolin-2-amine
CID 80874178

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methylphenoxy)-N-methylquinazolin-2-amine?
The IUPAC name of 4-(3-fluoro-4-methylphenoxy)-N-methylquinazolin-2-amine (CID 107171754) is 4-(3-fluoro-4-methylphenoxy)-N-methylquinazolin-2-amine.
What is the SMILES notation for 4-(3-fluoro-4-methylphenoxy)-N-methylquinazolin-2-amine?
The canonical SMILES for 4-(3-fluoro-4-methylphenoxy)-N-methylquinazolin-2-amine is CNc1nc(Oc2ccc(C)c(F)c2)c2ccccc2n1.
What is the InChIKey of 4-(3-fluoro-4-methylphenoxy)-N-methylquinazolin-2-amine?
The InChIKey is RVIXEXWEQJLDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-10-7-8-11(9-13(10)17)21-15-12-5-3-4-6-14(12)19-16(18-2)20-15/h3-9H,1-2H3,(H,18,19,20).
What are the key properties of 4-(3-fluoro-4-methylphenoxy)-N-methylquinazolin-2-amine?
4-(3-fluoro-4-methylphenoxy)-N-methylquinazolin-2-amine has a molecular weight of 283.31 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methylphenoxy)-N-methylquinazolin-2-amine is sourced from PubChem (CID 107171754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).