4-(dimethylamino)-1-(2-thiophen-2-ylquinolin-4-yl)butan-1-one

C19H20N2OS — CID 158550391

IUPAC4-(dimethylamino)-1-(2-thiophen-2-ylquinolin-4-yl)butan-1-one
SMILESCN(C)CCCC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C19H20N2OS/c1-21(2)11-5-9-18(22)15-13-17(19-10-6-12-23-19)20-16-8-4-3-7-14(15)16/h3-4,6-8,10,12-13H,5,9,11H2,1-2H3
InChIKeyHPQJHRSBESKQRI-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.49
Rot. Bonds6

About 4-(dimethylamino)-1-(2-thiophen-2-ylquinolin-4-yl)butan-1-one

4-(dimethylamino)-1-(2-thiophen-2-ylquinolin-4-yl)butan-1-one (PubChem CID 158550391) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-(dimethylamino)-1-(2-thiophen-2-ylquinolin-4-yl)butan-1-one.

Molecular Properties

Compound Name4-(dimethylamino)-1-(2-thiophen-2-ylquinolin-4-yl)butan-1-one
PubChem CID158550391
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name4-(dimethylamino)-1-(2-thiophen-2-ylquinolin-4-yl)butan-1-one
SMILESCN(C)CCCC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C19H20N2OS/c1-21(2)11-5-9-18(22)15-13-17(19-10-6-12-23-19)20-16-8-4-3-7-14(15)16/h3-4,6-8,10,12-13H,5,9,11H2,1-2H3
InChIKeyHPQJHRSBESKQRI-UHFFFAOYSA-N
XLogP4.49
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylamino)-1-[2-(2-methylphenyl)quinolin-4-yl]butan-1-one
CID 165107845
4-(dimethylamino)-1-[2-(2,3,4,5,6-pentafluorophenyl)quinolin-4-yl]butan-1-one
CID 160902489
4-(dimethylamino)-1-[2-(3,4,5-trifluorophenyl)quinolin-4-yl]butan-1-one
CID 159340286
N,N-diethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 4247339
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 43964343
N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 43963783
N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide;hydrochloride
CID 24891982
N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide;hydrochloride
CID 44930965
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 43963990
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 15987887
[2-(4-fluorophenyl)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 1218252
N-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3296086

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-(2-thiophen-2-ylquinolin-4-yl)butan-1-one?
The IUPAC name of 4-(dimethylamino)-1-(2-thiophen-2-ylquinolin-4-yl)butan-1-one (CID 158550391) is 4-(dimethylamino)-1-(2-thiophen-2-ylquinolin-4-yl)butan-1-one.
What is the SMILES notation for 4-(dimethylamino)-1-(2-thiophen-2-ylquinolin-4-yl)butan-1-one?
The canonical SMILES for 4-(dimethylamino)-1-(2-thiophen-2-ylquinolin-4-yl)butan-1-one is CN(C)CCCC(=O)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of 4-(dimethylamino)-1-(2-thiophen-2-ylquinolin-4-yl)butan-1-one?
The InChIKey is HPQJHRSBESKQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-21(2)11-5-9-18(22)15-13-17(19-10-6-12-23-19)20-16-8-4-3-7-14(15)16/h3-4,6-8,10,12-13H,5,9,11H2,1-2H3.
What are the key properties of 4-(dimethylamino)-1-(2-thiophen-2-ylquinolin-4-yl)butan-1-one?
4-(dimethylamino)-1-(2-thiophen-2-ylquinolin-4-yl)butan-1-one has a molecular weight of 324.45 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-(2-thiophen-2-ylquinolin-4-yl)butan-1-one is sourced from PubChem (CID 158550391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).