[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] quinoline-2-carboxylate

C22H22N2O4 — CID 7486432

IUPAC[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] quinoline-2-carboxylate
SMILESCCOc1ccc(CN(C)C(=O)COC(=O)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C22H22N2O4/c1-3-27-18-11-8-16(9-12-18)14-24(2)21(25)15-28-22(26)20-13-10-17-6-4-5-7-19(17)23-20/h4-13H,3,14-15H2,1-2H3
InChIKeyBWJFVVIPFRLMOX-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.45
Rot. Bonds7

About [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] quinoline-2-carboxylate

[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] quinoline-2-carboxylate (PubChem CID 7486432) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] quinoline-2-carboxylate.

Molecular Properties

Compound Name[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] quinoline-2-carboxylate
PubChem CID7486432
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] quinoline-2-carboxylate
SMILESCCOc1ccc(CN(C)C(=O)COC(=O)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C22H22N2O4/c1-3-27-18-11-8-16(9-12-18)14-24(2)21(25)15-28-22(26)20-13-10-17-6-4-5-7-19(17)23-20/h4-13H,3,14-15H2,1-2H3
InChIKeyBWJFVVIPFRLMOX-UHFFFAOYSA-N
XLogP3.45
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] quinoline-2-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

(4-ethoxyphenyl) quinoline-2-carboxylate
CID 1231895
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate
CID 2630730
[2-(N-methylanilino)-2-oxoethyl] quinoline-2-carboxylate
CID 2352915
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate
CID 7671181
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 7465381
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 55304084
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(methoxymethyl)benzoate
CID 55385868
[2-(4-methoxyphenyl)-2-oxoethyl] quinoline-2-carboxylate
CID 805957
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-naphthalen-2-yloxyacetamide
CID 51114602
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771822
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558699
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 7485600

Frequently Asked Questions

What is the IUPAC name of [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] quinoline-2-carboxylate?
The IUPAC name of [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] quinoline-2-carboxylate (CID 7486432) is [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] quinoline-2-carboxylate.
What is the SMILES notation for [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] quinoline-2-carboxylate?
The canonical SMILES for [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] quinoline-2-carboxylate is CCOc1ccc(CN(C)C(=O)COC(=O)c2ccc3ccccc3n2)cc1.
What is the InChIKey of [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] quinoline-2-carboxylate?
The InChIKey is BWJFVVIPFRLMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-3-27-18-11-8-16(9-12-18)14-24(2)21(25)15-28-22(26)20-13-10-17-6-4-5-7-19(17)23-20/h4-13H,3,14-15H2,1-2H3.
What are the key properties of [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] quinoline-2-carboxylate?
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] quinoline-2-carboxylate has a molecular weight of 378.43 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] quinoline-2-carboxylate is sourced from PubChem (CID 7486432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).