[3-(2-methoxyquinolin-6-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone

C24H22N4O2 — CID 135300464

IUPAC[3-(2-methoxyquinolin-6-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc2cc(-c3cnc4ccc(C(=O)N5CCCCC5)cc4n3)ccc2n1
InChIInChI=1S/C24H22N4O2/c1-30-23-10-7-16-13-17(5-8-19(16)27-23)22-15-25-20-9-6-18(14-21(20)26-22)24(29)28-11-3-2-4-12-28/h5-10,13-15H,2-4,11-12H2,1H3
InChIKeyBFJFBRZCGXOIEP-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.48
Rot. Bonds3

About [3-(2-methoxyquinolin-6-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone

[3-(2-methoxyquinolin-6-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone (PubChem CID 135300464) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is [3-(2-methoxyquinolin-6-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(2-methoxyquinolin-6-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone
PubChem CID135300464
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name[3-(2-methoxyquinolin-6-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc2cc(-c3cnc4ccc(C(=O)N5CCCCC5)cc4n3)ccc2n1
InChIInChI=1S/C24H22N4O2/c1-30-23-10-7-16-13-17(5-8-19(16)27-23)22-15-25-20-9-6-18(14-21(20)26-22)24(29)28-11-3-2-4-12-28/h5-10,13-15H,2-4,11-12H2,1H3
InChIKeyBFJFBRZCGXOIEP-UHFFFAOYSA-N
XLogP4.48
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyquinolin-6-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(2-methoxyquinolin-6-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone (CID 135300464) is [3-(2-methoxyquinolin-6-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(2-methoxyquinolin-6-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(2-methoxyquinolin-6-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone is COc1ccc2cc(-c3cnc4ccc(C(=O)N5CCCCC5)cc4n3)ccc2n1.
What is the InChIKey of [3-(2-methoxyquinolin-6-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
The InChIKey is BFJFBRZCGXOIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-30-23-10-7-16-13-17(5-8-19(16)27-23)22-15-25-20-9-6-18(14-21(20)26-22)24(29)28-11-3-2-4-12-28/h5-10,13-15H,2-4,11-12H2,1H3.
What are the key properties of [3-(2-methoxyquinolin-6-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
[3-(2-methoxyquinolin-6-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 398.47 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyquinolin-6-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 135300464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).