4-oxo-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-1H-quinoline-6-carboxamide

C20H20N4O2 — CID 91833737

IUPAC4-oxo-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-1H-quinoline-6-carboxamide
SMILESNC(=O)c1ccc2[nH]c(CN3CCCC3c3ccccn3)cc(=O)c2c1
InChIInChI=1S/C20H20N4O2/c21-20(26)13-6-7-16-15(10-13)19(25)11-14(23-16)12-24-9-3-5-18(24)17-4-1-2-8-22-17/h1-2,4,6-8,10-11,18H,3,5,9,12H2,(H2,21,26)(H,23,25)
InChIKeyCSXKWQLLKDOBBS-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.36
Rot. Bonds4

About 4-oxo-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-1H-quinoline-6-carboxamide

4-oxo-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-1H-quinoline-6-carboxamide (PubChem CID 91833737) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-oxo-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name4-oxo-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-1H-quinoline-6-carboxamide
PubChem CID91833737
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-oxo-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-1H-quinoline-6-carboxamide
SMILESNC(=O)c1ccc2[nH]c(CN3CCCC3c3ccccn3)cc(=O)c2c1
InChIInChI=1S/C20H20N4O2/c21-20(26)13-6-7-16-15(10-13)19(25)11-14(23-16)12-24-9-3-5-18(24)17-4-1-2-8-22-17/h1-2,4,6-8,10-11,18H,3,5,9,12H2,(H2,21,26)(H,23,25)
InChIKeyCSXKWQLLKDOBBS-UHFFFAOYSA-N
XLogP2.36
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-1H-quinoline-6-carboxamide?
The IUPAC name of 4-oxo-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-1H-quinoline-6-carboxamide (CID 91833737) is 4-oxo-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-1H-quinoline-6-carboxamide.
What is the SMILES notation for 4-oxo-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-1H-quinoline-6-carboxamide?
The canonical SMILES for 4-oxo-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-1H-quinoline-6-carboxamide is NC(=O)c1ccc2[nH]c(CN3CCCC3c3ccccn3)cc(=O)c2c1.
What is the InChIKey of 4-oxo-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-1H-quinoline-6-carboxamide?
The InChIKey is CSXKWQLLKDOBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c21-20(26)13-6-7-16-15(10-13)19(25)11-14(23-16)12-24-9-3-5-18(24)17-4-1-2-8-22-17/h1-2,4,6-8,10-11,18H,3,5,9,12H2,(H2,21,26)(H,23,25).
What are the key properties of 4-oxo-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-1H-quinoline-6-carboxamide?
4-oxo-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-1H-quinoline-6-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-1H-quinoline-6-carboxamide is sourced from PubChem (CID 91833737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).