N-[2-[[2-(dimethylamino)ethyl-(thiophen-3-ylmethyl)amino]methyl]quinolin-6-yl]acetamide

C21H26N4OS — CID 46986735

IUPACN-[2-[[2-(dimethylamino)ethyl-(thiophen-3-ylmethyl)amino]methyl]quinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(CN(CCN(C)C)Cc3ccsc3)ccc2c1
InChIInChI=1S/C21H26N4OS/c1-16(26)22-19-6-7-21-18(12-19)4-5-20(23-21)14-25(10-9-24(2)3)13-17-8-11-27-15-17/h4-8,11-12,15H,9-10,13-14H2,1-3H3,(H,22,26)
InChIKeyKNMTXXQHXZKYCV-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.82
Rot. Bonds8

About N-[2-[[2-(dimethylamino)ethyl-(thiophen-3-ylmethyl)amino]methyl]quinolin-6-yl]acetamide

N-[2-[[2-(dimethylamino)ethyl-(thiophen-3-ylmethyl)amino]methyl]quinolin-6-yl]acetamide (PubChem CID 46986735) has the molecular formula C21H26N4OS and a molecular weight of 382.53 g/mol. Its IUPAC name is N-[2-[[2-(dimethylamino)ethyl-(thiophen-3-ylmethyl)amino]methyl]quinolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-(dimethylamino)ethyl-(thiophen-3-ylmethyl)amino]methyl]quinolin-6-yl]acetamide
PubChem CID46986735
Molecular FormulaC21H26N4OS
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC NameN-[2-[[2-(dimethylamino)ethyl-(thiophen-3-ylmethyl)amino]methyl]quinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(CN(CCN(C)C)Cc3ccsc3)ccc2c1
InChIInChI=1S/C21H26N4OS/c1-16(26)22-19-6-7-21-18(12-19)4-5-20(23-21)14-25(10-9-24(2)3)13-17-8-11-27-15-17/h4-8,11-12,15H,9-10,13-14H2,1-3H3,(H,22,26)
InChIKeyKNMTXXQHXZKYCV-UHFFFAOYSA-N
XLogP3.82
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(dimethylamino)ethoxy]quinolin-6-yl]acetamide
CID 45273437
1-(2-hydroxyethyl)-3-(2-methoxyquinolin-6-yl)-1-(thiophen-3-ylmethyl)urea
CID 86884660
5-[[2-(dimethylamino)ethyl-(thiophen-3-ylmethyl)amino]methyl]-2-hydroxybenzoic acid
CID 46995914
N,N-dimethyl-N'-(thiophen-3-ylmethyl)-N'-[(3-thiophen-3-ylphenyl)methyl]ethane-1,2-diamine
CID 171442406
N-[2-[2-hydroxyethyl(methyl)amino]quinolin-6-yl]acetamide
CID 45267437
N,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 46989151
N'-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 46999615
N,N-dimethyl-N'-[[(3R)-oxolan-3-yl]methyl]-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 95046355
N-(4-acetamidophenyl)-2-(6-chloro-2-isocyanobenzimidazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 166040260
N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 46993076
N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-3-ylacetamide
CID 2550244
4-(4-chlorophenyl)-N-[2-[(dimethylamino)methyl]quinolin-6-yl]benzamide;2,2,2-trifluoroacetic acid
CID 44527622

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(dimethylamino)ethyl-(thiophen-3-ylmethyl)amino]methyl]quinolin-6-yl]acetamide?
The IUPAC name of N-[2-[[2-(dimethylamino)ethyl-(thiophen-3-ylmethyl)amino]methyl]quinolin-6-yl]acetamide (CID 46986735) is N-[2-[[2-(dimethylamino)ethyl-(thiophen-3-ylmethyl)amino]methyl]quinolin-6-yl]acetamide.
What is the SMILES notation for N-[2-[[2-(dimethylamino)ethyl-(thiophen-3-ylmethyl)amino]methyl]quinolin-6-yl]acetamide?
The canonical SMILES for N-[2-[[2-(dimethylamino)ethyl-(thiophen-3-ylmethyl)amino]methyl]quinolin-6-yl]acetamide is CC(=O)Nc1ccc2nc(CN(CCN(C)C)Cc3ccsc3)ccc2c1.
What is the InChIKey of N-[2-[[2-(dimethylamino)ethyl-(thiophen-3-ylmethyl)amino]methyl]quinolin-6-yl]acetamide?
The InChIKey is KNMTXXQHXZKYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4OS/c1-16(26)22-19-6-7-21-18(12-19)4-5-20(23-21)14-25(10-9-24(2)3)13-17-8-11-27-15-17/h4-8,11-12,15H,9-10,13-14H2,1-3H3,(H,22,26).
What are the key properties of N-[2-[[2-(dimethylamino)ethyl-(thiophen-3-ylmethyl)amino]methyl]quinolin-6-yl]acetamide?
N-[2-[[2-(dimethylamino)ethyl-(thiophen-3-ylmethyl)amino]methyl]quinolin-6-yl]acetamide has a molecular weight of 382.53 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(dimethylamino)ethyl-(thiophen-3-ylmethyl)amino]methyl]quinolin-6-yl]acetamide is sourced from PubChem (CID 46986735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).