2-[(2-aminoquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide

C16H22N4O — CID 62208289

IUPAC2-[(2-aminoquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)Cc1cc2ccccc2nc1N
InChIInChI=1S/C16H22N4O/c1-3-18-15(21)11-20(4-2)10-13-9-12-7-5-6-8-14(12)19-16(13)17/h5-9H,3-4,10-11H2,1-2H3,(H2,17,19)(H,18,21)
InChIKeyKGIUDELCDTWEHZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.77
Rot. Bonds6

About 2-[(2-aminoquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide

2-[(2-aminoquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide (PubChem CID 62208289) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[(2-aminoquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(2-aminoquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide
PubChem CID62208289
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[(2-aminoquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)Cc1cc2ccccc2nc1N
InChIInChI=1S/C16H22N4O/c1-3-18-15(21)11-20(4-2)10-13-9-12-7-5-6-8-14(12)19-16(13)17/h5-9H,3-4,10-11H2,1-2H3,(H2,17,19)(H,18,21)
InChIKeyKGIUDELCDTWEHZ-UHFFFAOYSA-N
XLogP1.77
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloroquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide
CID 8683083
N-tert-butyl-2-[(2-chloroquinolin-3-yl)methyl-ethylamino]acetamide
CID 8794209
3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]quinolin-2-amine
CID 62208946
2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 82986439
N-ethyl-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135824653
2-[(5-chloro-2-hydroxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 82986726
N-ethyl-2-[ethyl-[(2-nitrophenyl)methyl]amino]acetamide
CID 8682599
2-[(4-bromo-2-chlorophenyl)methyl-ethylamino]-N-ethylacetamide
CID 48935568
2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N-ethylacetamide
CID 62465226
2-[(4-bromophenyl)methyl-ethylamino]-N-ethylacetamide
CID 54939808
3-[[methyl(2-methylsulfanylethyl)amino]methyl]quinolin-2-amine
CID 112664241
2-[(2-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide
CID 43459354

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(2-aminoquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide (CID 62208289) is 2-[(2-aminoquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(2-aminoquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(2-aminoquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)Cc1cc2ccccc2nc1N.
What is the InChIKey of 2-[(2-aminoquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide?
The InChIKey is KGIUDELCDTWEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-18-15(21)11-20(4-2)10-13-9-12-7-5-6-8-14(12)19-16(13)17/h5-9H,3-4,10-11H2,1-2H3,(H2,17,19)(H,18,21).
What are the key properties of 2-[(2-aminoquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide?
2-[(2-aminoquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide has a molecular weight of 286.38 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 62208289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).