4-oxo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]-1H-quinoline-3-carboxamide

C22H22N4O3 — CID 55702746

IUPAC4-oxo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]-1H-quinoline-3-carboxamide
SMILESO=C(CNC(=O)c1c[nH]c2ccccc2c1=O)Nc1ccccc1N1CCCC1
InChIInChI=1S/C22H22N4O3/c27-20(25-18-9-3-4-10-19(18)26-11-5-6-12-26)14-24-22(29)16-13-23-17-8-2-1-7-15(17)21(16)28/h1-4,7-10,13H,5-6,11-12,14H2,(H,23,28)(H,24,29)(H,25,27)
InChIKeyHJLKMYWXOGUVJF-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.50
Rot. Bonds5

About 4-oxo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]-1H-quinoline-3-carboxamide

4-oxo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]-1H-quinoline-3-carboxamide (PubChem CID 55702746) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-oxo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]-1H-quinoline-3-carboxamide
PubChem CID55702746
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name4-oxo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]-1H-quinoline-3-carboxamide
SMILESO=C(CNC(=O)c1c[nH]c2ccccc2c1=O)Nc1ccccc1N1CCCC1
InChIInChI=1S/C22H22N4O3/c27-20(25-18-9-3-4-10-19(18)26-11-5-6-12-26)14-24-22(29)16-13-23-17-8-2-1-7-15(17)21(16)28/h1-4,7-10,13H,5-6,11-12,14H2,(H,23,28)(H,24,29)(H,25,27)
InChIKeyHJLKMYWXOGUVJF-UHFFFAOYSA-N
XLogP2.50
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]-1H-quinoline-3-carboxamide?
The IUPAC name of 4-oxo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]-1H-quinoline-3-carboxamide (CID 55702746) is 4-oxo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-oxo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-oxo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]-1H-quinoline-3-carboxamide is O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)Nc1ccccc1N1CCCC1.
What is the InChIKey of 4-oxo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]-1H-quinoline-3-carboxamide?
The InChIKey is HJLKMYWXOGUVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c27-20(25-18-9-3-4-10-19(18)26-11-5-6-12-26)14-24-22(29)16-13-23-17-8-2-1-7-15(17)21(16)28/h1-4,7-10,13H,5-6,11-12,14H2,(H,23,28)(H,24,29)(H,25,27).
What are the key properties of 4-oxo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]-1H-quinoline-3-carboxamide?
4-oxo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]-1H-quinoline-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]-1H-quinoline-3-carboxamide is sourced from PubChem (CID 55702746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).