1-(2-methoxyethyl)-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide

C20H33N3O3 — CID 91912795

IUPAC1-(2-methoxyethyl)-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
SMILESCOCCN1C(=O)CCC2(C(=O)NCCCN3CCCC3)CCCC=C12
InChIInChI=1S/C20H33N3O3/c1-26-16-15-23-17-7-2-3-9-20(17,10-8-18(23)24)19(25)21-11-6-14-22-12-4-5-13-22/h7H,2-6,8-16H2,1H3,(H,21,25)
InChIKeyRBOLKMHUDRTGER-UHFFFAOYSA-N
MW363.50 g/mol
LogP1.91
Rot. Bonds8

About 1-(2-methoxyethyl)-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide

1-(2-methoxyethyl)-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide (PubChem CID 91912795) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
PubChem CID91912795
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Name1-(2-methoxyethyl)-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
SMILESCOCCN1C(=O)CCC2(C(=O)NCCCN3CCCC3)CCCC=C12
InChIInChI=1S/C20H33N3O3/c1-26-16-15-23-17-7-2-3-9-20(17,10-8-18(23)24)19(25)21-11-6-14-22-12-4-5-13-22/h7H,2-6,8-16H2,1H3,(H,21,25)
InChIKeyRBOLKMHUDRTGER-UHFFFAOYSA-N
XLogP1.91
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide (CID 91912795) is 1-(2-methoxyethyl)-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide is COCCN1C(=O)CCC2(C(=O)NCCCN3CCCC3)CCCC=C12.
What is the InChIKey of 1-(2-methoxyethyl)-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The InChIKey is RBOLKMHUDRTGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-26-16-15-23-17-7-2-3-9-20(17,10-8-18(23)24)19(25)21-11-6-14-22-12-4-5-13-22/h7H,2-6,8-16H2,1H3,(H,21,25).
What are the key properties of 1-(2-methoxyethyl)-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
1-(2-methoxyethyl)-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide has a molecular weight of 363.50 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide is sourced from PubChem (CID 91912795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).