1-[2-(dimethylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

C14H18N2O3 — CID 54926085

IUPAC1-[2-(dimethylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESCN(C)C(=O)CN1CCCc2c(C(=O)O)cccc21
InChIInChI=1S/C14H18N2O3/c1-15(2)13(17)9-16-8-4-6-10-11(14(18)19)5-3-7-12(10)16/h3,5,7H,4,6,8-9H2,1-2H3,(H,18,19)
InChIKeyJSAXRPPVDVMAQT-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.23
Rot. Bonds3

About 1-[2-(dimethylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

1-[2-(dimethylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid (PubChem CID 54926085) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
PubChem CID54926085
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[2-(dimethylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESCN(C)C(=O)CN1CCCc2c(C(=O)O)cccc21
InChIInChI=1S/C14H18N2O3/c1-15(2)13(17)9-16-8-4-6-10-11(14(18)19)5-3-7-12(10)16/h3,5,7H,4,6,8-9H2,1-2H3,(H,18,19)
InChIKeyJSAXRPPVDVMAQT-UHFFFAOYSA-N
XLogP1.23
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-oxo-2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 56828575
1-[2-(azetidin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60839962
1-(2-bromoprop-2-enyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60873220
1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60839961
1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60840475
1-(2-fluoroethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 80695916
1-[(E)-but-2-enyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60840478
1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 106454610
1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598383
2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N-cyclopropyl-N-methylacetamide
CID 61489284
1-[cyclopropylmethyl(methyl)carbamoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 61208432
3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylpropanamide
CID 60972396

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid (CID 54926085) is 1-[2-(dimethylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid is CN(C)C(=O)CN1CCCc2c(C(=O)O)cccc21.
What is the InChIKey of 1-[2-(dimethylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The InChIKey is JSAXRPPVDVMAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-15(2)13(17)9-16-8-4-6-10-11(14(18)19)5-3-7-12(10)16/h3,5,7H,4,6,8-9H2,1-2H3,(H,18,19).
What are the key properties of 1-[2-(dimethylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid?
1-[2-(dimethylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 54926085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).