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

C20H23N3O4 — CID 2084851

IUPAC[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NCCCN2CCCC2=O)c2ccccc2n1
InChIInChI=1S/C20H23N3O4/c1-14-12-16(15-6-2-3-7-17(15)22-14)20(26)27-13-18(24)21-9-5-11-23-10-4-8-19(23)25/h2-3,6-7,12H,4-5,8-11,13H2,1H3,(H,21,24)
InChIKeyPVYAYVQZXVKBBX-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.83
Rot. Bonds7

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

[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 2-methylquinoline-4-carboxylate (PubChem CID 2084851) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 2-methylquinoline-4-carboxylate
PubChem CID2084851
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NCCCN2CCCC2=O)c2ccccc2n1
InChIInChI=1S/C20H23N3O4/c1-14-12-16(15-6-2-3-7-17(15)22-14)20(26)27-13-18(24)21-9-5-11-23-10-4-8-19(23)25/h2-3,6-7,12H,4-5,8-11,13H2,1H3,(H,21,24)
InChIKeyPVYAYVQZXVKBBX-UHFFFAOYSA-N
XLogP1.83
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.83
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

SB 218795
CID 6604858
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
methyl (2S)-2-[[2-[[2-oxo-2-[(2S)-1-[2-(quinoline-4-carbonylamino)acetyl]pyrrolidin-2-yl]acetyl]amino]acetyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate
CID 164627021
Cinchoninamide, 2-butoxy-N-(2-(1-pyrrolidinyl)ethyl)-
CID 3051612
(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

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 2-methylquinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 2-methylquinoline-4-carboxylate (CID 2084851) is [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 2-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 2-methylquinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 2-methylquinoline-4-carboxylate is Cc1cc(C(=O)OCC(=O)NCCCN2CCCC2=O)c2ccccc2n1.
What is the InChIKey of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 2-methylquinoline-4-carboxylate?
The InChIKey is PVYAYVQZXVKBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-14-12-16(15-6-2-3-7-17(15)22-14)20(26)27-13-18(24)21-9-5-11-23-10-4-8-19(23)25/h2-3,6-7,12H,4-5,8-11,13H2,1H3,(H,21,24).
What are the key properties of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 2-methylquinoline-4-carboxylate?
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 2-methylquinoline-4-carboxylate has a molecular weight of 369.42 g/mol, XLogP of 1.83, 7 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-methylquinoline-4-carboxylate is sourced from PubChem (CID 2084851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).