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

C22H27N3O4 — CID 2998433

IUPAC[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)OCC(=O)NCCCN2CCCC2=O)c1C
InChIInChI=1S/C22H27N3O4/c1-3-17-15(2)21(16-8-4-5-9-18(16)24-17)22(28)29-14-19(26)23-11-7-13-25-12-6-10-20(25)27/h4-5,8-9H,3,6-7,10-14H2,1-2H3,(H,23,26)
InChIKeyJPTSODWDRNXMOJ-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.39
Rot. Bonds8

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

[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate (PubChem CID 2998433) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate
PubChem CID2998433
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)OCC(=O)NCCCN2CCCC2=O)c1C
InChIInChI=1S/C22H27N3O4/c1-3-17-15(2)21(16-8-4-5-9-18(16)24-17)22(28)29-14-19(26)23-11-7-13-25-12-6-10-20(25)27/h4-5,8-9H,3,6-7,10-14H2,1-2H3,(H,23,26)
InChIKeyJPTSODWDRNXMOJ-UHFFFAOYSA-N
XLogP2.39
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.39
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

5-O-benzyl 1-O-methyl (2S)-2-[[2-[[2-oxo-2-[(2S)-1-[2-(quinoline-4-carbonylamino)acetyl]pyrrolidin-2-yl]acetyl]amino]acetyl]amino]pentanedioate
CID 164618874
(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(2-methylpropyl)quinoline-4-carboxylate
CID 44340582
(1-Butylpiperidin-4-yl)methyl 2-cyclopropylquinoline-4-carboxylate
CID 145988201
[2-(4-Ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2084031
[2-(Ethylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2089511
[2-(N-methylanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2417563
[2-Oxo-2-(propan-2-ylamino)ethyl] 2-methylquinoline-4-carboxylate
CID 2427239
(2-Oxo-2-piperidin-1-ylethyl) quinoline-2-carboxylate
CID 2454583
[2-oxo-2-(prop-2-enylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 3442697
[2-(methylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 3498238
[2-(Cyclopropylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 3652497
(2-amino-2-oxoethyl) 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 3937699

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate (CID 2998433) is [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate is CCc1nc2ccccc2c(C(=O)OCC(=O)NCCCN2CCCC2=O)c1C.
What is the InChIKey of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
The InChIKey is JPTSODWDRNXMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-3-17-15(2)21(16-8-4-5-9-18(16)24-17)22(28)29-14-19(26)23-11-7-13-25-12-6-10-20(25)27/h4-5,8-9H,3,6-7,10-14H2,1-2H3,(H,23,26).
What are the key properties of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate has a molecular weight of 397.48 g/mol, XLogP of 2.39, 8 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] 2-ethyl-3-methylquinoline-4-carboxylate is sourced from PubChem (CID 2998433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).