[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-ethyl-2-propylquinoline-4-carboxylate

C24H31N3O4 — CID 4779860

IUPAC[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-ethyl-2-propylquinoline-4-carboxylate
SMILESCCCc1nc2ccccc2c(C(=O)OCC(=O)NCCCN2CCCC2=O)c1CC
InChIInChI=1S/C24H31N3O4/c1-3-9-19-17(4-2)23(18-10-5-6-11-20(18)26-19)24(30)31-16-21(28)25-13-8-15-27-14-7-12-22(27)29/h5-6,10-11H,3-4,7-9,12-16H2,1-2H3,(H,25,28)
InChIKeyUUJHJSUWEYCYOV-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.04
Rot. Bonds10

About [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-ethyl-2-propylquinoline-4-carboxylate

[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-ethyl-2-propylquinoline-4-carboxylate (PubChem CID 4779860) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-ethyl-2-propylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-ethyl-2-propylquinoline-4-carboxylate
PubChem CID4779860
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-ethyl-2-propylquinoline-4-carboxylate
SMILESCCCc1nc2ccccc2c(C(=O)OCC(=O)NCCCN2CCCC2=O)c1CC
InChIInChI=1S/C24H31N3O4/c1-3-9-19-17(4-2)23(18-10-5-6-11-20(18)26-19)24(30)31-16-21(28)25-13-8-15-27-14-7-12-22(27)29/h5-6,10-11H,3-4,7-9,12-16H2,1-2H3,(H,25,28)
InChIKeyUUJHJSUWEYCYOV-UHFFFAOYSA-N
XLogP3.04
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.04
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-(ethylcarbamoylamino)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate
CID 2632086
[2-(2-bromoanilino)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate
CID 23770399
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
[2-oxo-2-(propylamino)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 7502181
[2-(butylcarbamoylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 26830937
[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 8536445
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate
CID 2436151
2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide
CID 117089388
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate
CID 23762011
2-ethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-1-carboxamide
CID 17173082
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 78777422
2-[2-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethoxy]ethoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 574581

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-ethyl-2-propylquinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-ethyl-2-propylquinoline-4-carboxylate (CID 4779860) is [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-ethyl-2-propylquinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-ethyl-2-propylquinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-ethyl-2-propylquinoline-4-carboxylate is CCCc1nc2ccccc2c(C(=O)OCC(=O)NCCCN2CCCC2=O)c1CC.
What is the InChIKey of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-ethyl-2-propylquinoline-4-carboxylate?
The InChIKey is UUJHJSUWEYCYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-3-9-19-17(4-2)23(18-10-5-6-11-20(18)26-19)24(30)31-16-21(28)25-13-8-15-27-14-7-12-22(27)29/h5-6,10-11H,3-4,7-9,12-16H2,1-2H3,(H,25,28).
What are the key properties of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-ethyl-2-propylquinoline-4-carboxylate?
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-ethyl-2-propylquinoline-4-carboxylate has a molecular weight of 425.53 g/mol, XLogP of 3.04, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-ethyl-2-propylquinoline-4-carboxylate is sourced from PubChem (CID 4779860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).