2-(dimethylamino)ethyl 3,4-dihydro-2H-quinoline-1-carboxylate

C14H20N2O2 — CID 165352292

IUPAC2-(dimethylamino)ethyl 3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCN(C)CCOC(=O)N1CCCc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-15(2)10-11-18-14(17)16-9-5-7-12-6-3-4-8-13(12)16/h3-4,6,8H,5,7,9-11H2,1-2H3
InChIKeyZCDVOULOPBBIMR-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.14
Rot. Bonds3

About 2-(dimethylamino)ethyl 3,4-dihydro-2H-quinoline-1-carboxylate

2-(dimethylamino)ethyl 3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 165352292) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID165352292
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(dimethylamino)ethyl 3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCN(C)CCOC(=O)N1CCCc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-15(2)10-11-18-14(17)16-9-5-7-12-6-3-4-8-13(12)16/h3-4,6,8H,5,7,9-11H2,1-2H3
InChIKeyZCDVOULOPBBIMR-UHFFFAOYSA-N
XLogP2.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxylate
CID 10376695
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide
CID 113149853
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,3-dihydroindole-1-carboxylate
CID 22162806
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-2-oxo-N-phenylacetamide
CID 108505624
4-[3,4-dihydro-2H-quinoline-1-carbonyl(methyl)amino]butanoic acid
CID 43329794
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994643
2-[cyclohexyl(methyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 54817931
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanethioamide
CID 43120466
3,4-dihydro-2H-quinolin-1-yl-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]methanone
CID 109186156
(Z)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-[2-(dimethylamino)ethylamino]prop-2-enenitrile
CID 108834895

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 3,4-dihydro-2H-quinoline-1-carboxylate (CID 165352292) is 2-(dimethylamino)ethyl 3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 3,4-dihydro-2H-quinoline-1-carboxylate is CN(C)CCOC(=O)N1CCCc2ccccc21.
What is the InChIKey of 2-(dimethylamino)ethyl 3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is ZCDVOULOPBBIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15(2)10-11-18-14(17)16-9-5-7-12-6-3-4-8-13(12)16/h3-4,6,8H,5,7,9-11H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl 3,4-dihydro-2H-quinoline-1-carboxylate?
2-(dimethylamino)ethyl 3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 165352292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).