2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;ethane

C17H15ClF3N3 — CID 156800556

IUPAC2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;ethane
SMILESCC.CN(c1cccc(F)c1)c1nc(Cl)nc2cc(F)c(F)cc12
InChIInChI=1S/C15H9ClF3N3.C2H6/c1-22(9-4-2-3-8(17)5-9)14-10-6-11(18)12(19)7-13(10)20-15(16)21-14;1-2/h2-7H,1H3;1-2H3
InChIKeyHJLJWMVYFCZHSN-UHFFFAOYSA-N
MW353.78 g/mol
LogP5.49
Rot. Bonds2

About 2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;ethane

2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;ethane (PubChem CID 156800556) has the molecular formula C17H15ClF3N3 and a molecular weight of 353.78 g/mol. Its IUPAC name is 2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;ethane.

Molecular Properties

Compound Name2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;ethane
PubChem CID156800556
Molecular FormulaC17H15ClF3N3
Molecular Weight353.78 g/mol
Exact Mass353.09
IUPAC Name2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;ethane
SMILESCC.CN(c1cccc(F)c1)c1nc(Cl)nc2cc(F)c(F)cc12
InChIInChI=1S/C15H9ClF3N3.C2H6/c1-22(9-4-2-3-8(17)5-9)14-10-6-11(18)12(19)7-13(10)20-15(16)21-14;1-2/h2-7H,1H3;1-2H3
InChIKeyHJLJWMVYFCZHSN-UHFFFAOYSA-N
XLogP5.49
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.78
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3-fluorophenyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 62859359
3-[(2-chloroquinazolin-4-yl)-methylamino]benzoic acid
CID 175557003
4-chloro-N-(3-fluorophenyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 62863481
6-fluoro-N-(3-iodophenyl)-N-methylquinazolin-4-amine
CID 175809045
1-(3-fluorophenyl)-1-methylhydrazine
CID 53400268
N-(3-chloro-4-fluorophenyl)-2-(chloromethyl)-7-fluoro-N-methylquinazolin-4-amine
CID 150333192
6-fluoro-2-hydrazinyl-N-methyl-N-phenylquinazolin-4-amine
CID 156536311
2-chloro-N-methyl-N-(4-phenoxyphenyl)quinazolin-4-amine
CID 11325910
N-(3-fluorophenyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66319285
4,6-dichloro-N-methyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 55124750
3-fluoro-N,N-dimethylaniline;methane
CID 157466440
5-(2-aminoethyl)-N-(3-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63786863

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;ethane?
The IUPAC name of 2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;ethane (CID 156800556) is 2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;ethane.
What is the SMILES notation for 2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;ethane?
The canonical SMILES for 2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;ethane is CC.CN(c1cccc(F)c1)c1nc(Cl)nc2cc(F)c(F)cc12.
What is the InChIKey of 2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;ethane?
The InChIKey is HJLJWMVYFCZHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3.C2H6/c1-22(9-4-2-3-8(17)5-9)14-10-6-11(18)12(19)7-13(10)20-15(16)21-14;1-2/h2-7H,1H3;1-2H3.
What are the key properties of 2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;ethane?
2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;ethane has a molecular weight of 353.78 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;ethane is sourced from PubChem (CID 156800556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).