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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Related Compounds

7-chloro-2-(5-fluoro-2-methylphenyl)-N-methylquinazolin-4-amine
CID 64981111
2-(2,4-dimethylphenyl)-7-fluoro-N-methylquinazolin-4-amine
CID 64981496
2-(3-chloro-5-methylphenyl)-N,8-dimethylquinazolin-4-amine
CID 81316710
6-fluoro-2-(4-fluorophenyl)-N-methylquinazolin-4-amine
CID 64980918
7-(3-chlorophenyl)-N-methyl-2-phenylquinazolin-4-amine
CID 118477734
6-chloro-2-(4-fluoro-3-methylphenyl)-N-methylquinazolin-4-amine
CID 64981216
6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)-7-fluoroquinazoline
CID 114591260
2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine
CID 79975310
6-chloro-2-(2,6-difluorophenyl)-N-methylquinazolin-4-amine
CID 64981014
7-(4-fluoro-2-methylphenyl)-4-N-methylquinazoline-2,4-diamine
CID 11522011
7-chloro-2-(2,3-difluorophenyl)-N-methylquinazolin-4-amine
CID 64983885
4-chloro-2-(4-chlorophenyl)-7-fluoroquinazoline
CID 53407921

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).