[2-(2-methoxyethylamino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate

C22H22N2O4 — CID 2096489

IUPAC[2-(2-methoxyethylamino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
SMILESCOCCNC(=O)COC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H22N2O4/c1-15-20(22(26)28-14-19(25)23-12-13-27-2)17-10-6-7-11-18(17)24-21(15)16-8-4-3-5-9-16/h3-11H,12-14H2,1-2H3,(H,23,25)
InChIKeyWPDNQLHDUYVCAK-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.13
Rot. Bonds7

About [2-(2-methoxyethylamino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate

[2-(2-methoxyethylamino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate (PubChem CID 2096489) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
PubChem CID2096489
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name[2-(2-methoxyethylamino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
SMILESCOCCNC(=O)COC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H22N2O4/c1-15-20(22(26)28-14-19(25)23-12-13-27-2)17-10-6-7-11-18(17)24-21(15)16-8-4-3-5-9-16/h3-11H,12-14H2,1-2H3,(H,23,25)
InChIKeyWPDNQLHDUYVCAK-UHFFFAOYSA-N
XLogP3.13
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2-benzamido-2-oxoethyl) 3-methyl-2-phenylquinoline-4-carboxylate
CID 41499799
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 16532315
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 16532317
[2-(2-fluoroanilino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 7846055
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 2496587
[2-(2-methoxyethylamino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617788
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 16532309
[2-(2-methoxyethylamino)-2-oxoethyl] 4-phenylbenzoate
CID 2520547
[2-(3-methoxypropylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 9139211
ethyl 2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]acetate
CID 4525423
[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 2401989
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 5024169

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate (CID 2096489) is [2-(2-methoxyethylamino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate is COCCNC(=O)COC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate?
The InChIKey is WPDNQLHDUYVCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-15-20(22(26)28-14-19(25)23-12-13-27-2)17-10-6-7-11-18(17)24-21(15)16-8-4-3-5-9-16/h3-11H,12-14H2,1-2H3,(H,23,25).
What are the key properties of [2-(2-methoxyethylamino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate?
[2-(2-methoxyethylamino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate has a molecular weight of 378.43 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 2096489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).