(3-isoquinolin-6-ylquinoxalin-6-yl)-piperidin-1-ylmethanone

C23H20N4O — CID 135300436

IUPAC(3-isoquinolin-6-ylquinoxalin-6-yl)-piperidin-1-ylmethanone
SMILESO=C(c1ccc2ncc(-c3ccc4cnccc4c3)nc2c1)N1CCCCC1
InChIInChI=1S/C23H20N4O/c28-23(27-10-2-1-3-11-27)18-6-7-20-21(13-18)26-22(15-25-20)17-4-5-19-14-24-9-8-16(19)12-17/h4-9,12-15H,1-3,10-11H2
InChIKeyZJFKVGSYYLSLKI-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.47
Rot. Bonds2

About (3-isoquinolin-6-ylquinoxalin-6-yl)-piperidin-1-ylmethanone

(3-isoquinolin-6-ylquinoxalin-6-yl)-piperidin-1-ylmethanone (PubChem CID 135300436) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is (3-isoquinolin-6-ylquinoxalin-6-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-isoquinolin-6-ylquinoxalin-6-yl)-piperidin-1-ylmethanone
PubChem CID135300436
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name(3-isoquinolin-6-ylquinoxalin-6-yl)-piperidin-1-ylmethanone
SMILESO=C(c1ccc2ncc(-c3ccc4cnccc4c3)nc2c1)N1CCCCC1
InChIInChI=1S/C23H20N4O/c28-23(27-10-2-1-3-11-27)18-6-7-20-21(13-18)26-22(15-25-20)17-4-5-19-14-24-9-8-16(19)12-17/h4-9,12-15H,1-3,10-11H2
InChIKeyZJFKVGSYYLSLKI-UHFFFAOYSA-N
XLogP4.47
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-isoquinolin-6-ylquinoxalin-6-yl)-piperidin-1-ylmethanone?
The IUPAC name of (3-isoquinolin-6-ylquinoxalin-6-yl)-piperidin-1-ylmethanone (CID 135300436) is (3-isoquinolin-6-ylquinoxalin-6-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-isoquinolin-6-ylquinoxalin-6-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-isoquinolin-6-ylquinoxalin-6-yl)-piperidin-1-ylmethanone is O=C(c1ccc2ncc(-c3ccc4cnccc4c3)nc2c1)N1CCCCC1.
What is the InChIKey of (3-isoquinolin-6-ylquinoxalin-6-yl)-piperidin-1-ylmethanone?
The InChIKey is ZJFKVGSYYLSLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c28-23(27-10-2-1-3-11-27)18-6-7-20-21(13-18)26-22(15-25-20)17-4-5-19-14-24-9-8-16(19)12-17/h4-9,12-15H,1-3,10-11H2.
What are the key properties of (3-isoquinolin-6-ylquinoxalin-6-yl)-piperidin-1-ylmethanone?
(3-isoquinolin-6-ylquinoxalin-6-yl)-piperidin-1-ylmethanone has a molecular weight of 368.44 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-isoquinolin-6-ylquinoxalin-6-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 135300436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).