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

C16H13ClFN3 — CID 64981111

IUPAC7-chloro-2-(5-fluoro-2-methylphenyl)-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2cc(F)ccc2C)nc2cc(Cl)ccc12
InChIInChI=1S/C16H13ClFN3/c1-9-3-5-11(18)8-13(9)16-20-14-7-10(17)4-6-12(14)15(19-2)21-16/h3-8H,1-2H3,(H,19,20,21)
InChIKeyOAFRXPKGZQAECV-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.44
Rot. Bonds2

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

7-chloro-2-(5-fluoro-2-methylphenyl)-N-methylquinazolin-4-amine (PubChem CID 64981111) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is 7-chloro-2-(5-fluoro-2-methylphenyl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-2-(5-fluoro-2-methylphenyl)-N-methylquinazolin-4-amine
PubChem CID64981111
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC Name7-chloro-2-(5-fluoro-2-methylphenyl)-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2cc(F)ccc2C)nc2cc(Cl)ccc12
InChIInChI=1S/C16H13ClFN3/c1-9-3-5-11(18)8-13(9)16-20-14-7-10(17)4-6-12(14)15(19-2)21-16/h3-8H,1-2H3,(H,19,20,21)
InChIKeyOAFRXPKGZQAECV-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 7-chloro-2-(5-fluoro-2-methylphenyl)-N-methylquinazolin-4-amine?
The IUPAC name of 7-chloro-2-(5-fluoro-2-methylphenyl)-N-methylquinazolin-4-amine (CID 64981111) is 7-chloro-2-(5-fluoro-2-methylphenyl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 7-chloro-2-(5-fluoro-2-methylphenyl)-N-methylquinazolin-4-amine?
The canonical SMILES for 7-chloro-2-(5-fluoro-2-methylphenyl)-N-methylquinazolin-4-amine is CNc1nc(-c2cc(F)ccc2C)nc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-2-(5-fluoro-2-methylphenyl)-N-methylquinazolin-4-amine?
The InChIKey is OAFRXPKGZQAECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c1-9-3-5-11(18)8-13(9)16-20-14-7-10(17)4-6-12(14)15(19-2)21-16/h3-8H,1-2H3,(H,19,20,21).
What are the key properties of 7-chloro-2-(5-fluoro-2-methylphenyl)-N-methylquinazolin-4-amine?
7-chloro-2-(5-fluoro-2-methylphenyl)-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 7-chloro-2-(5-fluoro-2-methylphenyl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 64981111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).