2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-quinolin-5-ylacetamide

C21H23N3O2S — CID 46690051

IUPAC2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-quinolin-5-ylacetamide
SMILESO=C(CN(Cc1cccs1)CC1CCCO1)Nc1cccc2ncccc12
InChIInChI=1S/C21H23N3O2S/c25-21(23-20-9-1-8-19-18(20)7-2-10-22-19)15-24(13-16-5-3-11-26-16)14-17-6-4-12-27-17/h1-2,4,6-10,12,16H,3,5,11,13-15H2,(H,23,25)
InChIKeyVEGNHYIEAICFBB-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.92
Rot. Bonds7

About 2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-quinolin-5-ylacetamide

2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-quinolin-5-ylacetamide (PubChem CID 46690051) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-quinolin-5-ylacetamide.

Molecular Properties

Compound Name2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-quinolin-5-ylacetamide
PubChem CID46690051
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-quinolin-5-ylacetamide
SMILESO=C(CN(Cc1cccs1)CC1CCCO1)Nc1cccc2ncccc12
InChIInChI=1S/C21H23N3O2S/c25-21(23-20-9-1-8-19-18(20)7-2-10-22-19)15-24(13-16-5-3-11-26-16)14-17-6-4-12-27-17/h1-2,4,6-10,12,16H,3,5,11,13-15H2,(H,23,25)
InChIKeyVEGNHYIEAICFBB-UHFFFAOYSA-N
XLogP3.92
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-naphthalen-1-yl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055085
N-(2,3-dichlorophenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055181
2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide
CID 9055359
N-(2-methylsulfonylphenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 8926224
N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055247
N-(2,4-dichlorophenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055179
N-(5-chloro-2-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055561
N-(2-ethyl-6-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055309
N-(3-methyl-1,2-oxazol-5-yl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 18154491
N-(4-chloro-2-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055321
N-(4-chloro-2-methylphenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055323
N-(cyclopentylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055373

Frequently Asked Questions

What is the IUPAC name of 2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-quinolin-5-ylacetamide?
The IUPAC name of 2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-quinolin-5-ylacetamide (CID 46690051) is 2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-quinolin-5-ylacetamide.
What is the SMILES notation for 2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-quinolin-5-ylacetamide?
The canonical SMILES for 2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-quinolin-5-ylacetamide is O=C(CN(Cc1cccs1)CC1CCCO1)Nc1cccc2ncccc12.
What is the InChIKey of 2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-quinolin-5-ylacetamide?
The InChIKey is VEGNHYIEAICFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c25-21(23-20-9-1-8-19-18(20)7-2-10-22-19)15-24(13-16-5-3-11-26-16)14-17-6-4-12-27-17/h1-2,4,6-10,12,16H,3,5,11,13-15H2,(H,23,25).
What are the key properties of 2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-quinolin-5-ylacetamide?
2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-quinolin-5-ylacetamide has a molecular weight of 381.50 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-quinolin-5-ylacetamide is sourced from PubChem (CID 46690051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).