6-(5-methylthiophen-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile

C18H20N2S — CID 121382774

IUPAC6-(5-methylthiophen-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile
SMILESCc1ccc(-c2cc3c(cc2C#N)N(C(C)C)CCC3)s1
InChIInChI=1S/C18H20N2S/c1-12(2)20-8-4-5-14-9-16(15(11-19)10-17(14)20)18-7-6-13(3)21-18/h6-7,9-10,12H,4-5,8H2,1-3H3
InChIKeyIMIGCRKORZMZQG-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.76
Rot. Bonds2

About 6-(5-methylthiophen-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile

6-(5-methylthiophen-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile (PubChem CID 121382774) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 6-(5-methylthiophen-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile.

Molecular Properties

Compound Name6-(5-methylthiophen-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile
PubChem CID121382774
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC Name6-(5-methylthiophen-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile
SMILESCc1ccc(-c2cc3c(cc2C#N)N(C(C)C)CCC3)s1
InChIInChI=1S/C18H20N2S/c1-12(2)20-8-4-5-14-9-16(15(11-19)10-17(14)20)18-7-6-13(3)21-18/h6-7,9-10,12H,4-5,8H2,1-3H3
InChIKeyIMIGCRKORZMZQG-UHFFFAOYSA-N
XLogP4.76
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methylthiophen-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile?
The IUPAC name of 6-(5-methylthiophen-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile (CID 121382774) is 6-(5-methylthiophen-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile.
What is the SMILES notation for 6-(5-methylthiophen-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile?
The canonical SMILES for 6-(5-methylthiophen-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile is Cc1ccc(-c2cc3c(cc2C#N)N(C(C)C)CCC3)s1.
What is the InChIKey of 6-(5-methylthiophen-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile?
The InChIKey is IMIGCRKORZMZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-12(2)20-8-4-5-14-9-16(15(11-19)10-17(14)20)18-7-6-13(3)21-18/h6-7,9-10,12H,4-5,8H2,1-3H3.
What are the key properties of 6-(5-methylthiophen-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile?
6-(5-methylthiophen-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile has a molecular weight of 296.44 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylthiophen-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile is sourced from PubChem (CID 121382774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).