2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-quinolin-8-ylacetamide

C17H22N4O2 — CID 113160554

IUPAC2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-quinolin-8-ylacetamide
SMILESCC(=O)N(CCN(C)C)CC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C17H22N4O2/c1-13(22)21(11-10-20(2)3)12-16(23)19-15-8-4-6-14-7-5-9-18-17(14)15/h4-9H,10-12H2,1-3H3,(H,19,23)
InChIKeyAVMIBOQWJDPDHS-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.58
Rot. Bonds6

About 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-quinolin-8-ylacetamide

2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-quinolin-8-ylacetamide (PubChem CID 113160554) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-quinolin-8-ylacetamide
PubChem CID113160554
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-quinolin-8-ylacetamide
SMILESCC(=O)N(CCN(C)C)CC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C17H22N4O2/c1-13(22)21(11-10-20(2)3)12-16(23)19-15-8-4-6-14-7-5-9-18-17(14)15/h4-9H,10-12H2,1-3H3,(H,19,23)
InChIKeyAVMIBOQWJDPDHS-UHFFFAOYSA-N
XLogP1.58
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[N-acetyl-4-(dimethylamino)anilino]-N-quinolin-8-ylpropanamide
CID 113131810
2-(N-acetyl-2,4,6-trimethylanilino)-N-quinolin-8-ylacetamide
CID 113170068
2-(N-acetyl-4-chloroanilino)-N-quinolin-8-ylacetamide
CID 113171635
2-N-[2-(dimethylamino)ethyl]-6-N-quinolin-8-ylpyridine-2,6-dicarboxamide
CID 109096405
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-quinolin-8-ylacetamide
CID 113175089
2-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylacetamide
CID 113173997
2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide
CID 101498940
3-(3-acetamido-N-acetylanilino)-N-quinolin-8-ylpropanamide
CID 113131055
3-(N-acetyl-3-fluoroanilino)-N-quinolin-8-ylpropanamide
CID 113132499
3-(N-acetyl-2,5-dimethylanilino)-N-quinolin-8-ylpropanamide
CID 113124439
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-phenylacetamide
CID 113160473

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-quinolin-8-ylacetamide?
The IUPAC name of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-quinolin-8-ylacetamide (CID 113160554) is 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-quinolin-8-ylacetamide is CC(=O)N(CCN(C)C)CC(=O)Nc1cccc2cccnc12.
What is the InChIKey of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-quinolin-8-ylacetamide?
The InChIKey is AVMIBOQWJDPDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13(22)21(11-10-20(2)3)12-16(23)19-15-8-4-6-14-7-5-9-18-17(14)15/h4-9H,10-12H2,1-3H3,(H,19,23).
What are the key properties of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-quinolin-8-ylacetamide?
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-quinolin-8-ylacetamide has a molecular weight of 314.39 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-quinolin-8-ylacetamide is sourced from PubChem (CID 113160554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).