N-[2-(2-oxopyrrolidin-1-yl)ethoxy]-5,6,7,8-tetrahydroquinoline-5-carboxamide

C16H21N3O3 — CID 154869696

IUPACN-[2-(2-oxopyrrolidin-1-yl)ethoxy]-5,6,7,8-tetrahydroquinoline-5-carboxamide
SMILESO=C(NOCCN1CCCC1=O)C1CCCc2ncccc21
InChIInChI=1S/C16H21N3O3/c20-15-7-3-9-19(15)10-11-22-18-16(21)13-4-1-6-14-12(13)5-2-8-17-14/h2,5,8,13H,1,3-4,6-7,9-11H2,(H,18,21)
InChIKeyJYODHDHGXJEPHG-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.17
Rot. Bonds5

About N-[2-(2-oxopyrrolidin-1-yl)ethoxy]-5,6,7,8-tetrahydroquinoline-5-carboxamide

N-[2-(2-oxopyrrolidin-1-yl)ethoxy]-5,6,7,8-tetrahydroquinoline-5-carboxamide (PubChem CID 154869696) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[2-(2-oxopyrrolidin-1-yl)ethoxy]-5,6,7,8-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-oxopyrrolidin-1-yl)ethoxy]-5,6,7,8-tetrahydroquinoline-5-carboxamide
PubChem CID154869696
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[2-(2-oxopyrrolidin-1-yl)ethoxy]-5,6,7,8-tetrahydroquinoline-5-carboxamide
SMILESO=C(NOCCN1CCCC1=O)C1CCCc2ncccc21
InChIInChI=1S/C16H21N3O3/c20-15-7-3-9-19(15)10-11-22-18-16(21)13-4-1-6-14-12(13)5-2-8-17-14/h2,5,8,13H,1,3-4,6-7,9-11H2,(H,18,21)
InChIKeyJYODHDHGXJEPHG-UHFFFAOYSA-N
XLogP1.17
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrrolidine-2-carboxamide
CID 154866002
ethyl 5,6,7,8-tetrahydroquinoline-5-carboxylate
CID 134691870
1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479953
2-(2-oxopyrrolidin-1-yl)ethyl N-phenylcarbamate
CID 117060433
2-(2-oxopyrrolidin-1-yl)ethyl carbamate
CID 118350046
4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide
CID 55213254
1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-one
CID 62464540
1-(3-anilinooxypropyl)pyrrolidin-2-one
CID 87356449
N-[2-(2-oxopiperidin-1-yl)ethyl]pyridine-2-carboxamide
CID 110743641
tert-butyl N-(5,6,7,8-tetrahydroquinolin-5-yl)carbamate
CID 121334667
trans-2-(2-oxopyrrolidin-1-yl)ethyl (1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 95908350
4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoate
CID 7438087

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)ethoxy]-5,6,7,8-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)ethoxy]-5,6,7,8-tetrahydroquinoline-5-carboxamide (CID 154869696) is N-[2-(2-oxopyrrolidin-1-yl)ethoxy]-5,6,7,8-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-[2-(2-oxopyrrolidin-1-yl)ethoxy]-5,6,7,8-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-[2-(2-oxopyrrolidin-1-yl)ethoxy]-5,6,7,8-tetrahydroquinoline-5-carboxamide is O=C(NOCCN1CCCC1=O)C1CCCc2ncccc21.
What is the InChIKey of N-[2-(2-oxopyrrolidin-1-yl)ethoxy]-5,6,7,8-tetrahydroquinoline-5-carboxamide?
The InChIKey is JYODHDHGXJEPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-15-7-3-9-19(15)10-11-22-18-16(21)13-4-1-6-14-12(13)5-2-8-17-14/h2,5,8,13H,1,3-4,6-7,9-11H2,(H,18,21).
What are the key properties of N-[2-(2-oxopyrrolidin-1-yl)ethoxy]-5,6,7,8-tetrahydroquinoline-5-carboxamide?
N-[2-(2-oxopyrrolidin-1-yl)ethoxy]-5,6,7,8-tetrahydroquinoline-5-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxopyrrolidin-1-yl)ethoxy]-5,6,7,8-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 154869696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).