4-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-carbonitrile

C17H16N2S — CID 10446402

IUPAC4-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-carbonitrile
SMILESCC1=CC(C)(C)Nc2ccc(-c3csc(C#N)c3)cc21
InChIInChI=1S/C17H16N2S/c1-11-8-17(2,3)19-16-5-4-12(7-15(11)16)13-6-14(9-18)20-10-13/h4-8,10,19H,1-3H3
InChIKeyQASVQWYKHBDCLY-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.89
Rot. Bonds1

About 4-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-carbonitrile

4-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-carbonitrile (PubChem CID 10446402) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 4-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name4-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-carbonitrile
PubChem CID10446402
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name4-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-carbonitrile
SMILESCC1=CC(C)(C)Nc2ccc(-c3csc(C#N)c3)cc21
InChIInChI=1S/C17H16N2S/c1-11-8-17(2,3)19-16-5-4-12(7-15(11)16)13-6-14(9-18)20-10-13/h4-8,10,19H,1-3H3
InChIKeyQASVQWYKHBDCLY-UHFFFAOYSA-N
XLogP4.89
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-carbonitrile?
The IUPAC name of 4-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-carbonitrile (CID 10446402) is 4-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-carbonitrile.
What is the SMILES notation for 4-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-carbonitrile?
The canonical SMILES for 4-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-carbonitrile is CC1=CC(C)(C)Nc2ccc(-c3csc(C#N)c3)cc21.
What is the InChIKey of 4-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-carbonitrile?
The InChIKey is QASVQWYKHBDCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-11-8-17(2,3)19-16-5-4-12(7-15(11)16)13-6-14(9-18)20-10-13/h4-8,10,19H,1-3H3.
What are the key properties of 4-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-carbonitrile?
4-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-carbonitrile has a molecular weight of 280.40 g/mol, XLogP of 4.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-carbonitrile is sourced from PubChem (CID 10446402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).