[2-(cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

C23H22N2O5 — CID 2478801

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OCC(=O)NC3CC3)c3ccccc3n2)cc1OC
InChIInChI=1S/C23H22N2O5/c1-28-20-10-7-14(11-21(20)29-2)19-12-17(16-5-3-4-6-18(16)25-19)23(27)30-13-22(26)24-15-8-9-15/h3-7,10-12,15H,8-9,13H2,1-2H3,(H,24,26)
InChIKeyOTSSPUSXIZPVRZ-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.35
Rot. Bonds7

About [2-(cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

[2-(cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate (PubChem CID 2478801) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
PubChem CID2478801
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OCC(=O)NC3CC3)c3ccccc3n2)cc1OC
InChIInChI=1S/C23H22N2O5/c1-28-20-10-7-14(11-21(20)29-2)19-12-17(16-5-3-4-6-18(16)25-19)23(27)30-13-22(26)24-15-8-9-15/h3-7,10-12,15H,8-9,13H2,1-2H3,(H,24,26)
InChIKeyOTSSPUSXIZPVRZ-UHFFFAOYSA-N
XLogP3.35
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 1504527
4-methoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 4915921
2-(3,4-Dimethoxyphenyl)quinoline-4-carboxylic acid
CID 673703
SB 235375
CID 9846078
N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-(phenylamino)quinoline-4-carboxamide
CID 4147575
(3S,4S)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxane-4-carboxamide
CID 44446361
N-cyclohexyl-2-isopropoxy-4-quinolinecarboxamide
CID 891858
2-(3,4-dimethoxyphenyl)-N-(2-furylmethyl)-4-quinolinecarboxamide
CID 1009671
N-cyclopentyl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 1223033
[2-(2-Methoxyanilino)-2-oxoethyl] quinoline-2-carboxylate
CID 2343068
[2-[(4-Methoxyphenyl)methylamino]-2-oxoethyl] quinoline-2-carboxylate
CID 2347318
(2-Morpholin-4-yl-2-oxoethyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2358377

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate (CID 2478801) is [2-(cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate is COc1ccc(-c2cc(C(=O)OCC(=O)NC3CC3)c3ccccc3n2)cc1OC.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate?
The InChIKey is OTSSPUSXIZPVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-28-20-10-7-14(11-21(20)29-2)19-12-17(16-5-3-4-6-18(16)25-19)23(27)30-13-22(26)24-15-8-9-15/h3-7,10-12,15H,8-9,13H2,1-2H3,(H,24,26).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate?
[2-(cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate has a molecular weight of 406.44 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 2478801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).