ethyl 2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]acetate

C14H18N2O3 — CID 115257291

IUPACethyl 2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]acetate
SMILESCCOC(=O)CN(C)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H18N2O3/c1-3-19-14(18)9-16(2)11-5-6-12-10(8-11)4-7-13(17)15-12/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,17)
InChIKeyDXYGTKNUKNHTQG-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.57
Rot. Bonds4

About ethyl 2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]acetate

ethyl 2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]acetate (PubChem CID 115257291) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is ethyl 2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]acetate
PubChem CID115257291
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Nameethyl 2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]acetate
SMILESCCOC(=O)CN(C)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H18N2O3/c1-3-19-14(18)9-16(2)11-5-6-12-10(8-11)4-7-13(17)15-12/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,17)
InChIKeyDXYGTKNUKNHTQG-UHFFFAOYSA-N
XLogP1.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze ethyl 2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propanoate
CID 115232296
6-[2-aminoethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 82493883
3-amino-N-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 82498531
4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid
CID 115218529
6-[3-aminopropyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 82496165
methyl N-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamate
CID 115190470
6-[methyl(3-sulfanylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 115224727
4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanenitrile
CID 115231559
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-[ethyl(methyl)amino]benzoate
CID 71884386
6-chloro-3,4-dihydro-1H-quinolin-2-one;ethyl acetate
CID 161287321
ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
CID 12821880
6-[(1-amino-3-methylbutan-2-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 115138025

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]acetate?
The IUPAC name of ethyl 2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]acetate (CID 115257291) is ethyl 2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]acetate is CCOC(=O)CN(C)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of ethyl 2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]acetate?
The InChIKey is DXYGTKNUKNHTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-19-14(18)9-16(2)11-5-6-12-10(8-11)4-7-13(17)15-12/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,17).
What are the key properties of ethyl 2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]acetate?
ethyl 2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]acetate has a molecular weight of 262.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]acetate is sourced from PubChem (CID 115257291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).