2-(2,4-dimethylphenyl)-7-fluoro-N-methylquinazolin-4-amine

C17H16FN3 — CID 64981496

IUPAC2-(2,4-dimethylphenyl)-7-fluoro-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2ccc(C)cc2C)nc2cc(F)ccc12
InChIInChI=1S/C17H16FN3/c1-10-4-6-13(11(2)8-10)17-20-15-9-12(18)5-7-14(15)16(19-3)21-17/h4-9H,1-3H3,(H,19,20,21)
InChIKeyIQBKVSLJJAEWGX-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.09
Rot. Bonds2

About 2-(2,4-dimethylphenyl)-7-fluoro-N-methylquinazolin-4-amine

2-(2,4-dimethylphenyl)-7-fluoro-N-methylquinazolin-4-amine (PubChem CID 64981496) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-7-fluoro-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-7-fluoro-N-methylquinazolin-4-amine
PubChem CID64981496
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name2-(2,4-dimethylphenyl)-7-fluoro-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2ccc(C)cc2C)nc2cc(F)ccc12
InChIInChI=1S/C17H16FN3/c1-10-4-6-13(11(2)8-10)17-20-15-9-12(18)5-7-14(15)16(19-3)21-17/h4-9H,1-3H3,(H,19,20,21)
InChIKeyIQBKVSLJJAEWGX-UHFFFAOYSA-N
XLogP4.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-7-fluoro-N-methylquinazolin-4-amine?
The IUPAC name of 2-(2,4-dimethylphenyl)-7-fluoro-N-methylquinazolin-4-amine (CID 64981496) is 2-(2,4-dimethylphenyl)-7-fluoro-N-methylquinazolin-4-amine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-7-fluoro-N-methylquinazolin-4-amine?
The canonical SMILES for 2-(2,4-dimethylphenyl)-7-fluoro-N-methylquinazolin-4-amine is CNc1nc(-c2ccc(C)cc2C)nc2cc(F)ccc12.
What is the InChIKey of 2-(2,4-dimethylphenyl)-7-fluoro-N-methylquinazolin-4-amine?
The InChIKey is IQBKVSLJJAEWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-10-4-6-13(11(2)8-10)17-20-15-9-12(18)5-7-14(15)16(19-3)21-17/h4-9H,1-3H3,(H,19,20,21).
What are the key properties of 2-(2,4-dimethylphenyl)-7-fluoro-N-methylquinazolin-4-amine?
2-(2,4-dimethylphenyl)-7-fluoro-N-methylquinazolin-4-amine has a molecular weight of 281.33 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-7-fluoro-N-methylquinazolin-4-amine is sourced from PubChem (CID 64981496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).