3-[2-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one

C20H20N4O2 — CID 57329267

IUPAC3-[2-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one
SMILESCc1cccc(CC2CCCN2C(=O)c2nc3ccccc3[nH]c2=O)n1
InChIInChI=1S/C20H20N4O2/c1-13-6-4-7-14(21-13)12-15-8-5-11-24(15)20(26)18-19(25)23-17-10-3-2-9-16(17)22-18/h2-4,6-7,9-10,15H,5,8,11-12H2,1H3,(H,23,25)
InChIKeyXNOHXDFMCRNTPG-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.47
Rot. Bonds3

About 3-[2-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one

3-[2-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one (PubChem CID 57329267) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-[2-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[2-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one
PubChem CID57329267
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-[2-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one
SMILESCc1cccc(CC2CCCN2C(=O)c2nc3ccccc3[nH]c2=O)n1
InChIInChI=1S/C20H20N4O2/c1-13-6-4-7-14(21-13)12-15-8-5-11-24(15)20(26)18-19(25)23-17-10-3-2-9-16(17)22-18/h2-4,6-7,9-10,15H,5,8,11-12H2,1H3,(H,23,25)
InChIKeyXNOHXDFMCRNTPG-UHFFFAOYSA-N
XLogP2.47
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[2-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one (CID 57329267) is 3-[2-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[2-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[2-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one is Cc1cccc(CC2CCCN2C(=O)c2nc3ccccc3[nH]c2=O)n1.
What is the InChIKey of 3-[2-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one?
The InChIKey is XNOHXDFMCRNTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-6-4-7-14(21-13)12-15-8-5-11-24(15)20(26)18-19(25)23-17-10-3-2-9-16(17)22-18/h2-4,6-7,9-10,15H,5,8,11-12H2,1H3,(H,23,25).
What are the key properties of 3-[2-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one?
3-[2-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one has a molecular weight of 348.41 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 57329267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).