[2-[benzyl(methyl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate

C23H24N2O3 — CID 2417393

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)OCC(=O)N(C)Cc2ccccc2)c1C
InChIInChI=1S/C23H24N2O3/c1-4-19-16(2)22(18-12-8-9-13-20(18)24-19)23(27)28-15-21(26)25(3)14-17-10-6-5-7-11-17/h5-13H,4,14-15H2,1-3H3
InChIKeyWPRJHOKCLOICJJ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.92
Rot. Bonds6

About [2-[benzyl(methyl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate

[2-[benzyl(methyl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate (PubChem CID 2417393) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
PubChem CID2417393
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)OCC(=O)N(C)Cc2ccccc2)c1C
InChIInChI=1S/C23H24N2O3/c1-4-19-16(2)22(18-12-8-9-13-20(18)24-19)23(27)28-15-21(26)25(3)14-17-10-6-5-7-11-17/h5-13H,4,14-15H2,1-3H3
InChIKeyWPRJHOKCLOICJJ-UHFFFAOYSA-N
XLogP3.92
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Neocinchophen
CID 68089
SB 218795
CID 6604858
Ethyl 2-methyl-4-phenylquinoline-3-carboxylate
CID 710825
9-Acridinecarboxylic acid, methyl ester
CID 21211
Methyl 2-phenyl-4-quinolinecarboxylate
CID 609693
(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(2-methylpropyl)quinoline-4-carboxylate
CID 44340582
(1-Butylpiperidin-4-yl)methyl 2-chloroquinoline-4-carboxylate
CID 145981672
(1-Butylpiperidin-4-yl)methyl 2-cyclopropylquinoline-4-carboxylate
CID 145988201
2-Oxo-2-phenylethyl quinoline-2-carboxylate
CID 1158601
[2-(4-Ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2084031
[2-(Ethylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2089511
(2-Morpholin-4-yl-2-oxoethyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2358377

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate (CID 2417393) is [2-[benzyl(methyl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate is CCc1nc2ccccc2c(C(=O)OCC(=O)N(C)Cc2ccccc2)c1C.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
The InChIKey is WPRJHOKCLOICJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-4-19-16(2)22(18-12-8-9-13-20(18)24-19)23(27)28-15-21(26)25(3)14-17-10-6-5-7-11-17/h5-13H,4,14-15H2,1-3H3.
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate has a molecular weight of 376.46 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate is sourced from PubChem (CID 2417393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).