2-(3-chloro-5-methylphenyl)-7-fluoro-N-methylquinazolin-4-amine

C16H13ClFN3 — CID 81315844

IUPAC2-(3-chloro-5-methylphenyl)-7-fluoro-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2cc(C)cc(Cl)c2)nc2cc(F)ccc12
InChIInChI=1S/C16H13ClFN3/c1-9-5-10(7-11(17)6-9)15-20-14-8-12(18)3-4-13(14)16(19-2)21-15/h3-8H,1-2H3,(H,19,20,21)
InChIKeyOXQMDWIHASENBP-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.44
Rot. Bonds2

About 2-(3-chloro-5-methylphenyl)-7-fluoro-N-methylquinazolin-4-amine

2-(3-chloro-5-methylphenyl)-7-fluoro-N-methylquinazolin-4-amine (PubChem CID 81315844) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is 2-(3-chloro-5-methylphenyl)-7-fluoro-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-5-methylphenyl)-7-fluoro-N-methylquinazolin-4-amine
PubChem CID81315844
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC Name2-(3-chloro-5-methylphenyl)-7-fluoro-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2cc(C)cc(Cl)c2)nc2cc(F)ccc12
InChIInChI=1S/C16H13ClFN3/c1-9-5-10(7-11(17)6-9)15-20-14-8-12(18)3-4-13(14)16(19-2)21-15/h3-8H,1-2H3,(H,19,20,21)
InChIKeyOXQMDWIHASENBP-UHFFFAOYSA-N
XLogP4.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-methylphenyl)-7-fluoro-N-methylquinazolin-4-amine?
The IUPAC name of 2-(3-chloro-5-methylphenyl)-7-fluoro-N-methylquinazolin-4-amine (CID 81315844) is 2-(3-chloro-5-methylphenyl)-7-fluoro-N-methylquinazolin-4-amine.
What is the SMILES notation for 2-(3-chloro-5-methylphenyl)-7-fluoro-N-methylquinazolin-4-amine?
The canonical SMILES for 2-(3-chloro-5-methylphenyl)-7-fluoro-N-methylquinazolin-4-amine is CNc1nc(-c2cc(C)cc(Cl)c2)nc2cc(F)ccc12.
What is the InChIKey of 2-(3-chloro-5-methylphenyl)-7-fluoro-N-methylquinazolin-4-amine?
The InChIKey is OXQMDWIHASENBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c1-9-5-10(7-11(17)6-9)15-20-14-8-12(18)3-4-13(14)16(19-2)21-15/h3-8H,1-2H3,(H,19,20,21).
What are the key properties of 2-(3-chloro-5-methylphenyl)-7-fluoro-N-methylquinazolin-4-amine?
2-(3-chloro-5-methylphenyl)-7-fluoro-N-methylquinazolin-4-amine has a molecular weight of 301.75 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-methylphenyl)-7-fluoro-N-methylquinazolin-4-amine is sourced from PubChem (CID 81315844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).