piperidin-1-yl-(3-quinolin-6-ylquinoxalin-6-yl)methanone

C23H20N4O — CID 135300401

IUPACpiperidin-1-yl-(3-quinolin-6-ylquinoxalin-6-yl)methanone
SMILESO=C(c1ccc2ncc(-c3ccc4ncccc4c3)nc2c1)N1CCCCC1
InChIInChI=1S/C23H20N4O/c28-23(27-11-2-1-3-12-27)18-7-9-20-21(14-18)26-22(15-25-20)17-6-8-19-16(13-17)5-4-10-24-19/h4-10,13-15H,1-3,11-12H2
InChIKeyWUHXWVRNYAMANQ-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.47
Rot. Bonds2

About piperidin-1-yl-(3-quinolin-6-ylquinoxalin-6-yl)methanone

piperidin-1-yl-(3-quinolin-6-ylquinoxalin-6-yl)methanone (PubChem CID 135300401) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is piperidin-1-yl-(3-quinolin-6-ylquinoxalin-6-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(3-quinolin-6-ylquinoxalin-6-yl)methanone
PubChem CID135300401
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Namepiperidin-1-yl-(3-quinolin-6-ylquinoxalin-6-yl)methanone
SMILESO=C(c1ccc2ncc(-c3ccc4ncccc4c3)nc2c1)N1CCCCC1
InChIInChI=1S/C23H20N4O/c28-23(27-11-2-1-3-12-27)18-7-9-20-21(14-18)26-22(15-25-20)17-6-8-19-16(13-17)5-4-10-24-19/h4-10,13-15H,1-3,11-12H2
InChIKeyWUHXWVRNYAMANQ-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 piperidin-1-yl-(3-quinolin-6-ylquinoxalin-6-yl)methanone?
The IUPAC name of piperidin-1-yl-(3-quinolin-6-ylquinoxalin-6-yl)methanone (CID 135300401) is piperidin-1-yl-(3-quinolin-6-ylquinoxalin-6-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(3-quinolin-6-ylquinoxalin-6-yl)methanone?
The canonical SMILES for piperidin-1-yl-(3-quinolin-6-ylquinoxalin-6-yl)methanone is O=C(c1ccc2ncc(-c3ccc4ncccc4c3)nc2c1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-(3-quinolin-6-ylquinoxalin-6-yl)methanone?
The InChIKey is WUHXWVRNYAMANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c28-23(27-11-2-1-3-12-27)18-7-9-20-21(14-18)26-22(15-25-20)17-6-8-19-16(13-17)5-4-10-24-19/h4-10,13-15H,1-3,11-12H2.
What are the key properties of piperidin-1-yl-(3-quinolin-6-ylquinoxalin-6-yl)methanone?
piperidin-1-yl-(3-quinolin-6-ylquinoxalin-6-yl)methanone 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 piperidin-1-yl-(3-quinolin-6-ylquinoxalin-6-yl)methanone is sourced from PubChem (CID 135300401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).