ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-1-methyl-2-oxoquinoline-3-carboxylate

C17H20N2O5 — CID 71010244

IUPACethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-1-methyl-2-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1c(N(C)CC(=O)OC)c2ccccc2n(C)c1=O
InChIInChI=1S/C17H20N2O5/c1-5-24-17(22)14-15(18(2)10-13(20)23-4)11-8-6-7-9-12(11)19(3)16(14)21/h6-9H,5,10H2,1-4H3
InChIKeyDGANGUNAWLBAII-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.32
Rot. Bonds5

About ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-1-methyl-2-oxoquinoline-3-carboxylate

ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-1-methyl-2-oxoquinoline-3-carboxylate (PubChem CID 71010244) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-1-methyl-2-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-1-methyl-2-oxoquinoline-3-carboxylate
PubChem CID71010244
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Nameethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-1-methyl-2-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1c(N(C)CC(=O)OC)c2ccccc2n(C)c1=O
InChIInChI=1S/C17H20N2O5/c1-5-24-17(22)14-15(18(2)10-13(20)23-4)11-8-6-7-9-12(11)19(3)16(14)21/h6-9H,5,10H2,1-4H3
InChIKeyDGANGUNAWLBAII-UHFFFAOYSA-N
XLogP1.32
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-1-methyl-2-oxoquinoline-3-carboxylate 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

ethyl 4-[bis(prop-2-enyl)amino]-1-methyl-2-oxoquinoline-3-carboxylate
CID 12737473
sodium 3-ethoxycarbonyl-1-methyl-2-oxoquinolin-4-olate
CID 134113066
ethyl 4-(4-chloroanilino)-1-methyl-2-oxoquinoline-3-carboxylate
CID 3058687
ethyl 3-methoxy-1-methylindole-2-carboxylate
CID 12619890
ethane;ethyl 1,3-dimethylindole-2-carboxylate
CID 90852450
ethyl 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]benzoate
CID 54688157
methyl 2-[methyl-(1-methylindol-3-yl)amino]acetate
CID 115232780
methyl 2-(1,4-dimethyl-2-oxoquinolin-3-yl)acetate
CID 13405582
ethyl 4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;methane
CID 158967895
ethyl 4-[4-(furan-3-ylmethyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate
CID 23543990
methyl 1-methyl-2-oxo-4-phenylquinoline-3-carboxylate
CID 154227733
ethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]pyridine-3-carboxylate
CID 55037918

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-1-methyl-2-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-1-methyl-2-oxoquinoline-3-carboxylate (CID 71010244) is ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-1-methyl-2-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-1-methyl-2-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-1-methyl-2-oxoquinoline-3-carboxylate is CCOC(=O)c1c(N(C)CC(=O)OC)c2ccccc2n(C)c1=O.
What is the InChIKey of ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-1-methyl-2-oxoquinoline-3-carboxylate?
The InChIKey is DGANGUNAWLBAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-5-24-17(22)14-15(18(2)10-13(20)23-4)11-8-6-7-9-12(11)19(3)16(14)21/h6-9H,5,10H2,1-4H3.
What are the key properties of ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-1-methyl-2-oxoquinoline-3-carboxylate?
ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-1-methyl-2-oxoquinoline-3-carboxylate has a molecular weight of 332.36 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-1-methyl-2-oxoquinoline-3-carboxylate is sourced from PubChem (CID 71010244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).