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

C17H16N2O4 — CID 2633522

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCC(=O)N2CCCC2=O)c2ccccc2n1
InChIInChI=1S/C17H16N2O4/c1-11-9-13(12-5-2-3-6-14(12)18-11)17(22)23-10-16(21)19-8-4-7-15(19)20/h2-3,5-6,9H,4,7-8,10H2,1H3
InChIKeyLTECPZDVBAWIRM-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.85
Rot. Bonds3

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

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylquinoline-4-carboxylate (PubChem CID 2633522) has the molecular formula C17H16N2O4 and a molecular weight of 312.32 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylquinoline-4-carboxylate
PubChem CID2633522
Molecular FormulaC17H16N2O4
Molecular Weight312.32 g/mol
Exact Mass312.11
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCC(=O)N2CCCC2=O)c2ccccc2n1
InChIInChI=1S/C17H16N2O4/c1-11-9-13(12-5-2-3-6-14(12)18-11)17(22)23-10-16(21)19-8-4-7-15(19)20/h2-3,5-6,9H,4,7-8,10H2,1H3
InChIKeyLTECPZDVBAWIRM-UHFFFAOYSA-N
XLogP1.85
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 2631739
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] anthracene-9-carboxylate
CID 3662156
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2627836
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2632002
[2-(butan-2-ylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 18074137
3-[[2-(2-methylquinoline-4-carbonyl)oxyacetyl]amino]benzoic acid
CID 23913779
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methyl-2-phenyltriazole-4-carboxylate
CID 30473149
benzyl 2-methylquinoline-4-carboxylate
CID 804130
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 3289831
methyl (2S)-4-[2-(2-methylquinoline-4-carbonyl)oxyacetyl]thiomorpholine-2-carboxylate
CID 8577409
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135516218
[2-(4-chlorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 882322

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylquinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylquinoline-4-carboxylate (CID 2633522) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylquinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylquinoline-4-carboxylate is Cc1cc(C(=O)OCC(=O)N2CCCC2=O)c2ccccc2n1.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylquinoline-4-carboxylate?
The InChIKey is LTECPZDVBAWIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-11-9-13(12-5-2-3-6-14(12)18-11)17(22)23-10-16(21)19-8-4-7-15(19)20/h2-3,5-6,9H,4,7-8,10H2,1H3.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylquinoline-4-carboxylate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylquinoline-4-carboxylate has a molecular weight of 312.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 2633522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).