8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-(2,2,2-trifluoroethyl)quinoline

C20H17ClF3N — CID 91279662

IUPAC8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-(2,2,2-trifluoroethyl)quinoline
SMILESCc1cc(CC(F)(F)F)c2cccc(-c3c(C)cc(Cl)cc3C)c2n1
InChIInChI=1S/C20H17ClF3N/c1-11-7-15(21)8-12(2)18(11)17-6-4-5-16-14(10-20(22,23)24)9-13(3)25-19(16)17/h4-9H,10H2,1-3H3
InChIKeySUHWQIBCOZOXKY-UHFFFAOYSA-N
MW363.81 g/mol
LogP6.59
Rot. Bonds2

About 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-(2,2,2-trifluoroethyl)quinoline

8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-(2,2,2-trifluoroethyl)quinoline (PubChem CID 91279662) has the molecular formula C20H17ClF3N and a molecular weight of 363.81 g/mol. Its IUPAC name is 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-(2,2,2-trifluoroethyl)quinoline.

Molecular Properties

Compound Name8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-(2,2,2-trifluoroethyl)quinoline
PubChem CID91279662
Molecular FormulaC20H17ClF3N
Molecular Weight363.81 g/mol
Exact Mass363.10
IUPAC Name8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-(2,2,2-trifluoroethyl)quinoline
SMILESCc1cc(CC(F)(F)F)c2cccc(-c3c(C)cc(Cl)cc3C)c2n1
InChIInChI=1S/C20H17ClF3N/c1-11-7-15(21)8-12(2)18(11)17-6-4-5-16-14(10-20(22,23)24)9-13(3)25-19(16)17/h4-9H,10H2,1-3H3
InChIKeySUHWQIBCOZOXKY-UHFFFAOYSA-N
XLogP6.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.81
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxyquinoline
CID 57253961
(NZ)-N-[1-[8-(4-chloro-2,6-dimethylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine
CID 135407043
2,6-dimethyl-3,5-bis(2,2,2-trifluoroethyl)pyridine
CID 150480476
2-(6-chloro-2,8-dimethylquinolin-4-yl)ethanamine
CID 82575608
3-(2,8-dimethylquinolin-4-yl)propan-1-amine
CID 82576634
1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propan-1-one
CID 18629408
(8-fluoro-2-methylquinolin-4-yl)methanethiol
CID 82448814
2-(2,8-dimethylquinolin-4-yl)acetic acid
CID 82447836
(NE)-N-[1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine
CID 135432959
2-(8-chloro-2-methylquinolin-4-yl)acetamide
CID 82575392
2,4-dimethyl-8-(trifluoromethyl)quinoline;ethane
CID 142222859
(NZ)-N-[1-[8-(4-methoxy-2,6-dimethylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine
CID 135486171

Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-(2,2,2-trifluoroethyl)quinoline?
The IUPAC name of 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-(2,2,2-trifluoroethyl)quinoline (CID 91279662) is 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-(2,2,2-trifluoroethyl)quinoline.
What is the SMILES notation for 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-(2,2,2-trifluoroethyl)quinoline?
The canonical SMILES for 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-(2,2,2-trifluoroethyl)quinoline is Cc1cc(CC(F)(F)F)c2cccc(-c3c(C)cc(Cl)cc3C)c2n1.
What is the InChIKey of 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-(2,2,2-trifluoroethyl)quinoline?
The InChIKey is SUHWQIBCOZOXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N/c1-11-7-15(21)8-12(2)18(11)17-6-4-5-16-14(10-20(22,23)24)9-13(3)25-19(16)17/h4-9H,10H2,1-3H3.
What are the key properties of 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-(2,2,2-trifluoroethyl)quinoline?
8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-(2,2,2-trifluoroethyl)quinoline has a molecular weight of 363.81 g/mol, XLogP of 6.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-(2,2,2-trifluoroethyl)quinoline is sourced from PubChem (CID 91279662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).