7-methoxy-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(trifluoromethyl)quinoline

C20H16F3N3OS — CID 18590163

IUPAC7-methoxy-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(trifluoromethyl)quinoline
SMILESCOc1ccc2c(C(F)(F)F)cc(SCc3cn4cc(C)ccc4n3)nc2c1
InChIInChI=1S/C20H16F3N3OS/c1-12-3-6-18-24-13(10-26(18)9-12)11-28-19-8-16(20(21,22)23)15-5-4-14(27-2)7-17(15)25-19/h3-10H,11H2,1-2H3
InChIKeyBTROIOHMOXWYSH-UHFFFAOYSA-N
MW403.43 g/mol
LogP5.51
Rot. Bonds4

About 7-methoxy-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(trifluoromethyl)quinoline

7-methoxy-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(trifluoromethyl)quinoline (PubChem CID 18590163) has the molecular formula C20H16F3N3OS and a molecular weight of 403.43 g/mol. Its IUPAC name is 7-methoxy-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name7-methoxy-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(trifluoromethyl)quinoline
PubChem CID18590163
Molecular FormulaC20H16F3N3OS
Molecular Weight403.43 g/mol
Exact Mass403.10
IUPAC Name7-methoxy-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(trifluoromethyl)quinoline
SMILESCOc1ccc2c(C(F)(F)F)cc(SCc3cn4cc(C)ccc4n3)nc2c1
InChIInChI=1S/C20H16F3N3OS/c1-12-3-6-18-24-13(10-26(18)9-12)11-28-19-8-16(20(21,22)23)15-5-4-14(27-2)7-17(15)25-19/h3-10H,11H2,1-2H3
InChIKeyBTROIOHMOXWYSH-UHFFFAOYSA-N
XLogP5.51
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.43
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(trifluoromethyl)quinoline?
The IUPAC name of 7-methoxy-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(trifluoromethyl)quinoline (CID 18590163) is 7-methoxy-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(trifluoromethyl)quinoline.
What is the SMILES notation for 7-methoxy-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(trifluoromethyl)quinoline?
The canonical SMILES for 7-methoxy-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(trifluoromethyl)quinoline is COc1ccc2c(C(F)(F)F)cc(SCc3cn4cc(C)ccc4n3)nc2c1.
What is the InChIKey of 7-methoxy-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(trifluoromethyl)quinoline?
The InChIKey is BTROIOHMOXWYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3OS/c1-12-3-6-18-24-13(10-26(18)9-12)11-28-19-8-16(20(21,22)23)15-5-4-14(27-2)7-17(15)25-19/h3-10H,11H2,1-2H3.
What are the key properties of 7-methoxy-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(trifluoromethyl)quinoline?
7-methoxy-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(trifluoromethyl)quinoline has a molecular weight of 403.43 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(trifluoromethyl)quinoline is sourced from PubChem (CID 18590163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).