6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-2H-isoquinolin-1-one

C23H20N4O2 — CID 135300358

IUPAC6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-2H-isoquinolin-1-one
SMILESO=C(c1ccc2ncc(-c3ccc4c(=O)[nH]ccc4c3)nc2c1)N1CCCCC1
InChIInChI=1S/C23H20N4O2/c28-22-18-6-4-16(12-15(18)8-9-24-22)21-14-25-19-7-5-17(13-20(19)26-21)23(29)27-10-2-1-3-11-27/h4-9,12-14H,1-3,10-11H2,(H,24,28)
InChIKeyGCLZEYNUSOGYSP-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.76
Rot. Bonds2

About 6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-2H-isoquinolin-1-one

6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-2H-isoquinolin-1-one (PubChem CID 135300358) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-2H-isoquinolin-1-one
PubChem CID135300358
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-2H-isoquinolin-1-one
SMILESO=C(c1ccc2ncc(-c3ccc4c(=O)[nH]ccc4c3)nc2c1)N1CCCCC1
InChIInChI=1S/C23H20N4O2/c28-22-18-6-4-16(12-15(18)8-9-24-22)21-14-25-19-7-5-17(13-20(19)26-21)23(29)27-10-2-1-3-11-27/h4-9,12-14H,1-3,10-11H2,(H,24,28)
InChIKeyGCLZEYNUSOGYSP-UHFFFAOYSA-N
XLogP3.76
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-2H-isoquinolin-1-one?
The IUPAC name of 6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-2H-isoquinolin-1-one (CID 135300358) is 6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-2H-isoquinolin-1-one.
What is the SMILES notation for 6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-2H-isoquinolin-1-one?
The canonical SMILES for 6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-2H-isoquinolin-1-one is O=C(c1ccc2ncc(-c3ccc4c(=O)[nH]ccc4c3)nc2c1)N1CCCCC1.
What is the InChIKey of 6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-2H-isoquinolin-1-one?
The InChIKey is GCLZEYNUSOGYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c28-22-18-6-4-16(12-15(18)8-9-24-22)21-14-25-19-7-5-17(13-20(19)26-21)23(29)27-10-2-1-3-11-27/h4-9,12-14H,1-3,10-11H2,(H,24,28).
What are the key properties of 6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-2H-isoquinolin-1-one?
6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-2H-isoquinolin-1-one has a molecular weight of 384.44 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-2H-isoquinolin-1-one is sourced from PubChem (CID 135300358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).