6-chloro-3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline

C19H14ClF3N4O2S — CID 129100108

IUPAC6-chloro-3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline
SMILESCCS(=O)(=O)c1cc2cc(Cl)ccc2nc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C19H14ClF3N4O2S/c1-3-30(28,29)15-7-10-6-11(20)4-5-12(10)25-17(15)18-26-13-8-16(19(21,22)23)24-9-14(13)27(18)2/h4-9H,3H2,1-2H3
InChIKeyYXUSNGPUWLKMLM-UHFFFAOYSA-N
MW454.86 g/mol
LogP4.65
Rot. Bonds3

About 6-chloro-3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline

6-chloro-3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline (PubChem CID 129100108) has the molecular formula C19H14ClF3N4O2S and a molecular weight of 454.86 g/mol. Its IUPAC name is 6-chloro-3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline.

Molecular Properties

Compound Name6-chloro-3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline
PubChem CID129100108
Molecular FormulaC19H14ClF3N4O2S
Molecular Weight454.86 g/mol
Exact Mass454.05
IUPAC Name6-chloro-3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline
SMILESCCS(=O)(=O)c1cc2cc(Cl)ccc2nc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C19H14ClF3N4O2S/c1-3-30(28,29)15-7-10-6-11(20)4-5-12(10)25-17(15)18-26-13-8-16(19(21,22)23)24-9-14(13)27(18)2/h4-9H,3H2,1-2H3
InChIKeyYXUSNGPUWLKMLM-UHFFFAOYSA-N
XLogP4.65
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.86
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline?
The IUPAC name of 6-chloro-3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline (CID 129100108) is 6-chloro-3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline.
What is the SMILES notation for 6-chloro-3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline?
The canonical SMILES for 6-chloro-3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline is CCS(=O)(=O)c1cc2cc(Cl)ccc2nc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 6-chloro-3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline?
The InChIKey is YXUSNGPUWLKMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N4O2S/c1-3-30(28,29)15-7-10-6-11(20)4-5-12(10)25-17(15)18-26-13-8-16(19(21,22)23)24-9-14(13)27(18)2/h4-9H,3H2,1-2H3.
What are the key properties of 6-chloro-3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline?
6-chloro-3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline has a molecular weight of 454.86 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline is sourced from PubChem (CID 129100108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).