2-propylsulfanyl-4-(trifluoromethyl)-5,6-dihydrofuro[2,3-h]quinoline-3-carbonitrile

C16H13F3N2OS — CID 18833276

IUPAC2-propylsulfanyl-4-(trifluoromethyl)-5,6-dihydrofuro[2,3-h]quinoline-3-carbonitrile
SMILESCCCSc1nc2c(c(C(F)(F)F)c1C#N)CCc1occc1-2
InChIInChI=1S/C16H13F3N2OS/c1-2-7-23-15-11(8-20)13(16(17,18)19)10-3-4-12-9(5-6-22-12)14(10)21-15/h5-6H,2-4,7H2,1H3
InChIKeyKQFGIBAGGDIXSS-UHFFFAOYSA-N
MW338.35 g/mol
LogP4.83
Rot. Bonds3

About 2-propylsulfanyl-4-(trifluoromethyl)-5,6-dihydrofuro[2,3-h]quinoline-3-carbonitrile

2-propylsulfanyl-4-(trifluoromethyl)-5,6-dihydrofuro[2,3-h]quinoline-3-carbonitrile (PubChem CID 18833276) has the molecular formula C16H13F3N2OS and a molecular weight of 338.35 g/mol. Its IUPAC name is 2-propylsulfanyl-4-(trifluoromethyl)-5,6-dihydrofuro[2,3-h]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-propylsulfanyl-4-(trifluoromethyl)-5,6-dihydrofuro[2,3-h]quinoline-3-carbonitrile
PubChem CID18833276
Molecular FormulaC16H13F3N2OS
Molecular Weight338.35 g/mol
Exact Mass338.07
IUPAC Name2-propylsulfanyl-4-(trifluoromethyl)-5,6-dihydrofuro[2,3-h]quinoline-3-carbonitrile
SMILESCCCSc1nc2c(c(C(F)(F)F)c1C#N)CCc1occc1-2
InChIInChI=1S/C16H13F3N2OS/c1-2-7-23-15-11(8-20)13(16(17,18)19)10-3-4-12-9(5-6-22-12)14(10)21-15/h5-6H,2-4,7H2,1H3
InChIKeyKQFGIBAGGDIXSS-UHFFFAOYSA-N
XLogP4.83
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propylsulfanyl-4-(trifluoromethyl)-5,6-dihydrofuro[2,3-h]quinoline-3-carbonitrile?
The IUPAC name of 2-propylsulfanyl-4-(trifluoromethyl)-5,6-dihydrofuro[2,3-h]quinoline-3-carbonitrile (CID 18833276) is 2-propylsulfanyl-4-(trifluoromethyl)-5,6-dihydrofuro[2,3-h]quinoline-3-carbonitrile.
What is the SMILES notation for 2-propylsulfanyl-4-(trifluoromethyl)-5,6-dihydrofuro[2,3-h]quinoline-3-carbonitrile?
The canonical SMILES for 2-propylsulfanyl-4-(trifluoromethyl)-5,6-dihydrofuro[2,3-h]quinoline-3-carbonitrile is CCCSc1nc2c(c(C(F)(F)F)c1C#N)CCc1occc1-2.
What is the InChIKey of 2-propylsulfanyl-4-(trifluoromethyl)-5,6-dihydrofuro[2,3-h]quinoline-3-carbonitrile?
The InChIKey is KQFGIBAGGDIXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2OS/c1-2-7-23-15-11(8-20)13(16(17,18)19)10-3-4-12-9(5-6-22-12)14(10)21-15/h5-6H,2-4,7H2,1H3.
What are the key properties of 2-propylsulfanyl-4-(trifluoromethyl)-5,6-dihydrofuro[2,3-h]quinoline-3-carbonitrile?
2-propylsulfanyl-4-(trifluoromethyl)-5,6-dihydrofuro[2,3-h]quinoline-3-carbonitrile has a molecular weight of 338.35 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanyl-4-(trifluoromethyl)-5,6-dihydrofuro[2,3-h]quinoline-3-carbonitrile is sourced from PubChem (CID 18833276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).