2-[[2-(ethylamino)quinolin-3-yl]methyl-methylamino]-N-methylacetamide

C16H22N4O — CID 62183803

IUPAC2-[[2-(ethylamino)quinolin-3-yl]methyl-methylamino]-N-methylacetamide
SMILESCCNc1nc2ccccc2cc1CN(C)CC(=O)NC
InChIInChI=1S/C16H22N4O/c1-4-18-16-13(10-20(3)11-15(21)17-2)9-12-7-5-6-8-14(12)19-16/h5-9H,4,10-11H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyYUNDILSPSAQGBZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.84
Rot. Bonds6

About 2-[[2-(ethylamino)quinolin-3-yl]methyl-methylamino]-N-methylacetamide

2-[[2-(ethylamino)quinolin-3-yl]methyl-methylamino]-N-methylacetamide (PubChem CID 62183803) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[[2-(ethylamino)quinolin-3-yl]methyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(ethylamino)quinolin-3-yl]methyl-methylamino]-N-methylacetamide
PubChem CID62183803
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[[2-(ethylamino)quinolin-3-yl]methyl-methylamino]-N-methylacetamide
SMILESCCNc1nc2ccccc2cc1CN(C)CC(=O)NC
InChIInChI=1S/C16H22N4O/c1-4-18-16-13(10-20(3)11-15(21)17-2)9-12-7-5-6-8-14(12)19-16/h5-9H,4,10-11H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyYUNDILSPSAQGBZ-UHFFFAOYSA-N
XLogP1.84
TPSA57.26 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 ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydrazinylquinolin-3-yl)methyl-methylamino]-N-methylacetamide
CID 62241968
3-[[cyclopropyl(methyl)amino]methyl]-N-ethylquinolin-2-amine
CID 62182539
N-ethyl-3-propylquinolin-2-amine
CID 63232591
N-ethyl-3-[[ethyl(2-methylpropyl)amino]methyl]quinolin-2-amine
CID 62184472
3-[[2-ethoxyethyl(methyl)amino]methyl]-N-methylquinolin-2-amine
CID 81074205
3-[methyl-[[2-(propylamino)quinolin-3-yl]methyl]amino]propanenitrile
CID 62177689
2-[(2-cyanophenyl)methyl-methylamino]-N-methylacetamide
CID 43216435
N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methylpentan-1-amine
CID 62244445
3-[methyl-[[2-(methylamino)quinolin-3-yl]methyl]amino]propanenitrile
CID 62177687
N-methyl-3-[[methyl(2-methylbutyl)amino]methyl]quinolin-2-amine
CID 62184502
2-[(2-aminophenyl)methyl-methylamino]-N-methylacetamide
CID 43374465
N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-2-methylsulfanylethanamine
CID 112664442

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)quinolin-3-yl]methyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[2-(ethylamino)quinolin-3-yl]methyl-methylamino]-N-methylacetamide (CID 62183803) is 2-[[2-(ethylamino)quinolin-3-yl]methyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-(ethylamino)quinolin-3-yl]methyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[2-(ethylamino)quinolin-3-yl]methyl-methylamino]-N-methylacetamide is CCNc1nc2ccccc2cc1CN(C)CC(=O)NC.
What is the InChIKey of 2-[[2-(ethylamino)quinolin-3-yl]methyl-methylamino]-N-methylacetamide?
The InChIKey is YUNDILSPSAQGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-18-16-13(10-20(3)11-15(21)17-2)9-12-7-5-6-8-14(12)19-16/h5-9H,4,10-11H2,1-3H3,(H,17,21)(H,18,19).
What are the key properties of 2-[[2-(ethylamino)quinolin-3-yl]methyl-methylamino]-N-methylacetamide?
2-[[2-(ethylamino)quinolin-3-yl]methyl-methylamino]-N-methylacetamide has a molecular weight of 286.38 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)quinolin-3-yl]methyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 62183803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).