2,2,4-trimethyl-6-(3-methylthiophen-2-yl)-1H-quinoline

C17H19NS — CID 23433451

IUPAC2,2,4-trimethyl-6-(3-methylthiophen-2-yl)-1H-quinoline
SMILESCC1=CC(C)(C)Nc2ccc(-c3sccc3C)cc21
InChIInChI=1S/C17H19NS/c1-11-7-8-19-16(11)13-5-6-15-14(9-13)12(2)10-17(3,4)18-15/h5-10,18H,1-4H3
InChIKeyKDEPJXRAESNIQG-UHFFFAOYSA-N
MW269.41 g/mol
LogP5.33
Rot. Bonds1

About 2,2,4-trimethyl-6-(3-methylthiophen-2-yl)-1H-quinoline

2,2,4-trimethyl-6-(3-methylthiophen-2-yl)-1H-quinoline (PubChem CID 23433451) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2,2,4-trimethyl-6-(3-methylthiophen-2-yl)-1H-quinoline.

Molecular Properties

Compound Name2,2,4-trimethyl-6-(3-methylthiophen-2-yl)-1H-quinoline
PubChem CID23433451
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC Name2,2,4-trimethyl-6-(3-methylthiophen-2-yl)-1H-quinoline
SMILESCC1=CC(C)(C)Nc2ccc(-c3sccc3C)cc21
InChIInChI=1S/C17H19NS/c1-11-7-8-19-16(11)13-5-6-15-14(9-13)12(2)10-17(3,4)18-15/h5-10,18H,1-4H3
InChIKeyKDEPJXRAESNIQG-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.41
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-Fluorophenyl)-2,2-dimethyl-4-[(prop-2-en-1-ylsulfanyl)methyl]-1,2-dihydroquinoline
CID 10337273
N,N-diethyl-4-{[(2-thienylmethyl)amino]methyl}aniline hydrochloride
CID 2976089
N-benzyl-N'-(2,4-dimethylphenyl)-N-(thien-2-ylmethyl)thiourea
CID 4246039
2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N,N-dimethylaniline
CID 10039780
4-(2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl)thiophene-2-carbonitrile
CID 10446402
6-(5-Chlorothiophen-2-yl)-2,2,4-trimethyl-1,2-dihydroquinoline
CID 23433498
2,2,4-Trimethyl-6-(5-nitrothiophen-2-yl)-1,2-dihydroquinoline
CID 23433503
5-(2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl)thiophene-2-carbonitrile
CID 23433542
2,2,4-trimethyl-6-(phenylsulfanylmethyl)-1H-quinoline
CID 319187
1-(2,4-Dimethylphenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 800329
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

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-6-(3-methylthiophen-2-yl)-1H-quinoline?
The IUPAC name of 2,2,4-trimethyl-6-(3-methylthiophen-2-yl)-1H-quinoline (CID 23433451) is 2,2,4-trimethyl-6-(3-methylthiophen-2-yl)-1H-quinoline.
What is the SMILES notation for 2,2,4-trimethyl-6-(3-methylthiophen-2-yl)-1H-quinoline?
The canonical SMILES for 2,2,4-trimethyl-6-(3-methylthiophen-2-yl)-1H-quinoline is CC1=CC(C)(C)Nc2ccc(-c3sccc3C)cc21.
What is the InChIKey of 2,2,4-trimethyl-6-(3-methylthiophen-2-yl)-1H-quinoline?
The InChIKey is KDEPJXRAESNIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS/c1-11-7-8-19-16(11)13-5-6-15-14(9-13)12(2)10-17(3,4)18-15/h5-10,18H,1-4H3.
What are the key properties of 2,2,4-trimethyl-6-(3-methylthiophen-2-yl)-1H-quinoline?
2,2,4-trimethyl-6-(3-methylthiophen-2-yl)-1H-quinoline has a molecular weight of 269.41 g/mol, XLogP of 5.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-6-(3-methylthiophen-2-yl)-1H-quinoline is sourced from PubChem (CID 23433451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).