6-(6-chloro-8-fluoro-2-methoxy-4,5-dimethylquinazolin-7-yl)-5-(1,1-difluoroethyl)-4-methylpyridin-2-amine

C19H18ClF3N4O — CID 164875836

IUPAC6-(6-chloro-8-fluoro-2-methoxy-4,5-dimethylquinazolin-7-yl)-5-(1,1-difluoroethyl)-4-methylpyridin-2-amine
SMILESCOc1nc(C)c2c(C)c(Cl)c(-c3nc(N)cc(C)c3C(C)(F)F)c(F)c2n1
InChIInChI=1S/C19H18ClF3N4O/c1-7-6-10(24)26-16(13(7)19(4,22)23)12-14(20)8(2)11-9(3)25-18(28-5)27-17(11)15(12)21/h6H,1-5H3,(H2,24,26)
InChIKeyLWZUGSPLFFYRTB-UHFFFAOYSA-N
MW410.83 g/mol
LogP5.11
Rot. Bonds3

About 6-(6-chloro-8-fluoro-2-methoxy-4,5-dimethylquinazolin-7-yl)-5-(1,1-difluoroethyl)-4-methylpyridin-2-amine

6-(6-chloro-8-fluoro-2-methoxy-4,5-dimethylquinazolin-7-yl)-5-(1,1-difluoroethyl)-4-methylpyridin-2-amine (PubChem CID 164875836) has the molecular formula C19H18ClF3N4O and a molecular weight of 410.83 g/mol. Its IUPAC name is 6-(6-chloro-8-fluoro-2-methoxy-4,5-dimethylquinazolin-7-yl)-5-(1,1-difluoroethyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-(6-chloro-8-fluoro-2-methoxy-4,5-dimethylquinazolin-7-yl)-5-(1,1-difluoroethyl)-4-methylpyridin-2-amine
PubChem CID164875836
Molecular FormulaC19H18ClF3N4O
Molecular Weight410.83 g/mol
Exact Mass410.11
IUPAC Name6-(6-chloro-8-fluoro-2-methoxy-4,5-dimethylquinazolin-7-yl)-5-(1,1-difluoroethyl)-4-methylpyridin-2-amine
SMILESCOc1nc(C)c2c(C)c(Cl)c(-c3nc(N)cc(C)c3C(C)(F)F)c(F)c2n1
InChIInChI=1S/C19H18ClF3N4O/c1-7-6-10(24)26-16(13(7)19(4,22)23)12-14(20)8(2)11-9(3)25-18(28-5)27-17(11)15(12)21/h6H,1-5H3,(H2,24,26)
InChIKeyLWZUGSPLFFYRTB-UHFFFAOYSA-N
XLogP5.11
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.83
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(6-chloro-8-fluoro-2-methoxy-4,5-dimethylquinazolin-7-yl)-5-(1,1-difluoroethyl)-4-methylpyridin-2-amine with MolForge

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Related Compounds

US11236068, Example 32
CID 146624951
N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-chloro-2-methylquinazolin-4-amine
CID 166632154
(Z)-1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]piperazin-1-yl]prop-1-en-1-olate
CID 177929199
6-[3-Chloro-5-(4-fluorophenyl)phenyl]-5-methylquinazoline-2,4-diamine
CID 70685012
6-N-[2-amino-6-(3-chlorophenyl)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]quinoline-4,6-diamine
CID 22643151
6-N-[2-amino-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2-(3-chlorophenyl)quinoline-4,6-diamine
CID 22643165
6-N-[2-amino-6-(2-chlorophenyl)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]quinoline-4,6-diamine
CID 22643220
6-N-[2-amino-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2-(2-chlorophenyl)quinoline-4,6-diamine
CID 22643245
6-N-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-2-(3-chlorophenyl)quinoline-4,6-diamine
CID 22643265
4-N-(3-chloro-4-fluorophenyl)-7-cyclopropyl-2-methoxyquinazoline-4,6-diamine
CID 22716461
N-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-amine
CID 24863407
2,4-Diamino-5-methyl-6-[1-chloro-2-(4-trifluoromethylphenyl)ethenyl]quinazoline
CID 53789780

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-8-fluoro-2-methoxy-4,5-dimethylquinazolin-7-yl)-5-(1,1-difluoroethyl)-4-methylpyridin-2-amine?
The IUPAC name of 6-(6-chloro-8-fluoro-2-methoxy-4,5-dimethylquinazolin-7-yl)-5-(1,1-difluoroethyl)-4-methylpyridin-2-amine (CID 164875836) is 6-(6-chloro-8-fluoro-2-methoxy-4,5-dimethylquinazolin-7-yl)-5-(1,1-difluoroethyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 6-(6-chloro-8-fluoro-2-methoxy-4,5-dimethylquinazolin-7-yl)-5-(1,1-difluoroethyl)-4-methylpyridin-2-amine?
The canonical SMILES for 6-(6-chloro-8-fluoro-2-methoxy-4,5-dimethylquinazolin-7-yl)-5-(1,1-difluoroethyl)-4-methylpyridin-2-amine is COc1nc(C)c2c(C)c(Cl)c(-c3nc(N)cc(C)c3C(C)(F)F)c(F)c2n1.
What is the InChIKey of 6-(6-chloro-8-fluoro-2-methoxy-4,5-dimethylquinazolin-7-yl)-5-(1,1-difluoroethyl)-4-methylpyridin-2-amine?
The InChIKey is LWZUGSPLFFYRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N4O/c1-7-6-10(24)26-16(13(7)19(4,22)23)12-14(20)8(2)11-9(3)25-18(28-5)27-17(11)15(12)21/h6H,1-5H3,(H2,24,26).
What are the key properties of 6-(6-chloro-8-fluoro-2-methoxy-4,5-dimethylquinazolin-7-yl)-5-(1,1-difluoroethyl)-4-methylpyridin-2-amine?
6-(6-chloro-8-fluoro-2-methoxy-4,5-dimethylquinazolin-7-yl)-5-(1,1-difluoroethyl)-4-methylpyridin-2-amine has a molecular weight of 410.83 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-8-fluoro-2-methoxy-4,5-dimethylquinazolin-7-yl)-5-(1,1-difluoroethyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 164875836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).