[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-methylquinoline-4-carboxylate

C18H21N3O4 — CID 8577440

IUPAC[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-methylquinoline-4-carboxylate
SMILESCCCNC(=O)CNC(=O)COC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C18H21N3O4/c1-3-8-19-16(22)10-20-17(23)11-25-18(24)14-9-12(2)21-15-7-5-4-6-13(14)15/h4-7,9H,3,8,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyNEHZKEYJULGAMS-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.34
Rot. Bonds7

About [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-methylquinoline-4-carboxylate

[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-methylquinoline-4-carboxylate (PubChem CID 8577440) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-methylquinoline-4-carboxylate
PubChem CID8577440
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-methylquinoline-4-carboxylate
SMILESCCCNC(=O)CNC(=O)COC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C18H21N3O4/c1-3-8-19-16(22)10-20-17(23)11-25-18(24)14-9-12(2)21-15-7-5-4-6-13(14)15/h4-7,9H,3,8,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyNEHZKEYJULGAMS-UHFFFAOYSA-N
XLogP1.34
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-methylquinoline-4-carboxylate with MolForge

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Related Compounds

[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 9330721
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 7648710
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-methylquinoline-4-carboxylate
CID 8577430
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484643
[2-(butan-2-ylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 18074137
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] anthracene-9-carboxylate
CID 9231199
[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 7648236
2-[(2-methylquinolin-4-yl)methylamino]-N-propylacetamide
CID 78942753
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484664
[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 845169
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 16528691
2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide
CID 9163082

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-methylquinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-methylquinoline-4-carboxylate (CID 8577440) is [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-methylquinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-methylquinoline-4-carboxylate is CCCNC(=O)CNC(=O)COC(=O)c1cc(C)nc2ccccc12.
What is the InChIKey of [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-methylquinoline-4-carboxylate?
The InChIKey is NEHZKEYJULGAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-3-8-19-16(22)10-20-17(23)11-25-18(24)14-9-12(2)21-15-7-5-4-6-13(14)15/h4-7,9H,3,8,10-11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-methylquinoline-4-carboxylate?
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-methylquinoline-4-carboxylate has a molecular weight of 343.38 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 8577440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).