6-(5-chlorothiophen-2-yl)-2,2,4-trimethyl-1H-quinoline

C16H16ClNS — CID 23433498

IUPAC6-(5-chlorothiophen-2-yl)-2,2,4-trimethyl-1H-quinoline
SMILESCC1=CC(C)(C)Nc2ccc(-c3ccc(Cl)s3)cc21
InChIInChI=1S/C16H16ClNS/c1-10-9-16(2,3)18-13-5-4-11(8-12(10)13)14-6-7-15(17)19-14/h4-9,18H,1-3H3
InChIKeyZPKGIIOSPYKWAY-UHFFFAOYSA-N
MW289.83 g/mol
LogP5.68
Rot. Bonds1

About 6-(5-chlorothiophen-2-yl)-2,2,4-trimethyl-1H-quinoline

6-(5-chlorothiophen-2-yl)-2,2,4-trimethyl-1H-quinoline (PubChem CID 23433498) has the molecular formula C16H16ClNS and a molecular weight of 289.83 g/mol. Its IUPAC name is 6-(5-chlorothiophen-2-yl)-2,2,4-trimethyl-1H-quinoline.

Molecular Properties

Compound Name6-(5-chlorothiophen-2-yl)-2,2,4-trimethyl-1H-quinoline
PubChem CID23433498
Molecular FormulaC16H16ClNS
Molecular Weight289.83 g/mol
Exact Mass289.07
IUPAC Name6-(5-chlorothiophen-2-yl)-2,2,4-trimethyl-1H-quinoline
SMILESCC1=CC(C)(C)Nc2ccc(-c3ccc(Cl)s3)cc21
InChIInChI=1S/C16H16ClNS/c1-10-9-16(2,3)18-13-5-4-11(8-12(10)13)14-6-7-15(17)19-14/h4-9,18H,1-3H3
InChIKeyZPKGIIOSPYKWAY-UHFFFAOYSA-N
XLogP5.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.83
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl)thiophene-2-carbonitrile
CID 10446402
2,2,4-Trimethyl-6-(3-methylthiophen-2-yl)-1,2-dihydroquinoline
CID 23433451
5-(2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl)thiophene-2-carbonitrile
CID 23433542
5-(5-chlorothiophen-2-yl)spiro[1H-indole-3,1'-cyclohexane]-2-thione
CID 10042477
6-(4-Bromothiophen-2-yl)-2,2,4-trimethyl-1,2-dihydroquinoline
CID 44354630
6-(5-Bromothiophen-2-yl)-2,2,4-trimethyl-1,2-dihydroquinoline
CID 44354644
3,5-Dimethyl-4-(2,2,4-trimethyl-1,2-dihydroquinolin-6-yl)thiophene-2-carbonitrile
CID 44354645
5-Methyl-4-(2,2,4-trimethyl-1,2-dihydroquinolin-6-yl)thiophene-2-carbonitrile
CID 44354707
3-(2,2,4-Trimethyl-1,2-dihydro-quinolin-6-yl)-thiophene-2-carbonitrile
CID 44354756
4-Methyl-5-(2,2,4-trimethyl-1,2-dihydroquinolin-6-yl)thiophene-2-carbonitrile
CID 44354886
2,2,4-Trimethyl-6-(thiophen-2-yl)-1,2-dihydroquinoline
CID 44355053
N-(2-chlorophenyl)-2,3,7-trimethyl-benzothiophen-6-amine
CID 16078352

Frequently Asked Questions

What is the IUPAC name of 6-(5-chlorothiophen-2-yl)-2,2,4-trimethyl-1H-quinoline?
The IUPAC name of 6-(5-chlorothiophen-2-yl)-2,2,4-trimethyl-1H-quinoline (CID 23433498) is 6-(5-chlorothiophen-2-yl)-2,2,4-trimethyl-1H-quinoline.
What is the SMILES notation for 6-(5-chlorothiophen-2-yl)-2,2,4-trimethyl-1H-quinoline?
The canonical SMILES for 6-(5-chlorothiophen-2-yl)-2,2,4-trimethyl-1H-quinoline is CC1=CC(C)(C)Nc2ccc(-c3ccc(Cl)s3)cc21.
What is the InChIKey of 6-(5-chlorothiophen-2-yl)-2,2,4-trimethyl-1H-quinoline?
The InChIKey is ZPKGIIOSPYKWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNS/c1-10-9-16(2,3)18-13-5-4-11(8-12(10)13)14-6-7-15(17)19-14/h4-9,18H,1-3H3.
What are the key properties of 6-(5-chlorothiophen-2-yl)-2,2,4-trimethyl-1H-quinoline?
6-(5-chlorothiophen-2-yl)-2,2,4-trimethyl-1H-quinoline has a molecular weight of 289.83 g/mol, XLogP of 5.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chlorothiophen-2-yl)-2,2,4-trimethyl-1H-quinoline is sourced from PubChem (CID 23433498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).