ethyl 2-[(1,7-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-(2-ethoxy-2-oxoethyl)amino]acetate

C19H26N2O5 — CID 66881027

IUPACethyl 2-[(1,7-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-(2-ethoxy-2-oxoethyl)amino]acetate
SMILESCCOC(=O)CN(CC(=O)OCC)c1cc2c(cc1C)N(C)C(=O)CC2
InChIInChI=1S/C19H26N2O5/c1-5-25-18(23)11-21(12-19(24)26-6-2)15-10-14-7-8-17(22)20(4)16(14)9-13(15)3/h9-10H,5-8,11-12H2,1-4H3
InChIKeyOCCWXZKTLASCLF-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.84
Rot. Bonds7

About ethyl 2-[(1,7-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-(2-ethoxy-2-oxoethyl)amino]acetate

ethyl 2-[(1,7-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-(2-ethoxy-2-oxoethyl)amino]acetate (PubChem CID 66881027) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is ethyl 2-[(1,7-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-(2-ethoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1,7-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-(2-ethoxy-2-oxoethyl)amino]acetate
PubChem CID66881027
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Nameethyl 2-[(1,7-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-(2-ethoxy-2-oxoethyl)amino]acetate
SMILESCCOC(=O)CN(CC(=O)OCC)c1cc2c(cc1C)N(C)C(=O)CC2
InChIInChI=1S/C19H26N2O5/c1-5-25-18(23)11-21(12-19(24)26-6-2)15-10-14-7-8-17(22)20(4)16(14)9-13(15)3/h9-10H,5-8,11-12H2,1-4H3
InChIKeyOCCWXZKTLASCLF-UHFFFAOYSA-N
XLogP1.84
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1,7-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-(2-ethoxy-2-oxoethyl)amino]acetate?
The IUPAC name of ethyl 2-[(1,7-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-(2-ethoxy-2-oxoethyl)amino]acetate (CID 66881027) is ethyl 2-[(1,7-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-(2-ethoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(1,7-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-(2-ethoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for ethyl 2-[(1,7-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-(2-ethoxy-2-oxoethyl)amino]acetate is CCOC(=O)CN(CC(=O)OCC)c1cc2c(cc1C)N(C)C(=O)CC2.
What is the InChIKey of ethyl 2-[(1,7-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-(2-ethoxy-2-oxoethyl)amino]acetate?
The InChIKey is OCCWXZKTLASCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-5-25-18(23)11-21(12-19(24)26-6-2)15-10-14-7-8-17(22)20(4)16(14)9-13(15)3/h9-10H,5-8,11-12H2,1-4H3.
What are the key properties of ethyl 2-[(1,7-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-(2-ethoxy-2-oxoethyl)amino]acetate?
ethyl 2-[(1,7-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-(2-ethoxy-2-oxoethyl)amino]acetate has a molecular weight of 362.43 g/mol, XLogP of 1.84, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1,7-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-(2-ethoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 66881027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).