[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate

C24H26N2O4 — CID 8825443

IUPAC[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
SMILESCOCCN(Cc1ccccc1)C(=O)COC(=O)c1c(C)nc2ccccc2c1C
InChIInChI=1S/C24H26N2O4/c1-17-20-11-7-8-12-21(20)25-18(2)23(17)24(28)30-16-22(27)26(13-14-29-3)15-19-9-5-4-6-10-19/h4-12H,13-16H2,1-3H3
InChIKeyXQADDARGVJYYBS-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.68
Rot. Bonds8

About [2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate

[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate (PubChem CID 8825443) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is [2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate.

Molecular Properties

Compound Name[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
PubChem CID8825443
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
SMILESCOCCN(Cc1ccccc1)C(=O)COC(=O)c1c(C)nc2ccccc2c1C
InChIInChI=1S/C24H26N2O4/c1-17-20-11-7-8-12-21(20)25-18(2)23(17)24(28)30-16-22(27)26(13-14-29-3)15-19-9-5-4-6-10-19/h4-12H,13-16H2,1-3H3
InChIKeyXQADDARGVJYYBS-UHFFFAOYSA-N
XLogP3.68
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 18203251
[2-oxo-2-(N-prop-2-enylanilino)ethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825442
[2-oxo-2-(3-phenylpropylamino)ethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825051
[2-(N-methylanilino)-2-oxoethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 18144426
[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 4-acetamidobenzoate
CID 9015831
[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 9286296
methyl 3-[benzyl-[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]propanoate
CID 55513322
[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 9491157
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825008
(2-oxo-2-thiophen-2-ylethyl) 2,4-dimethylquinoline-3-carboxylate
CID 8825062
[2-[bis(2-methoxyethyl)amino]-2-oxoethyl] (2S,4Z)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
CID 92948856
2,4-dimethylquinoline-3-carbohydrazide
CID 3811999

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate?
The IUPAC name of [2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate (CID 8825443) is [2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate.
What is the SMILES notation for [2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate?
The canonical SMILES for [2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate is COCCN(Cc1ccccc1)C(=O)COC(=O)c1c(C)nc2ccccc2c1C.
What is the InChIKey of [2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate?
The InChIKey is XQADDARGVJYYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-17-20-11-7-8-12-21(20)25-18(2)23(17)24(28)30-16-22(27)26(13-14-29-3)15-19-9-5-4-6-10-19/h4-12H,13-16H2,1-3H3.
What are the key properties of [2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate?
[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate has a molecular weight of 406.48 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate is sourced from PubChem (CID 8825443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).