6-chloro-2-(3-pyridin-3-yloxypiperidin-1-yl)quinoxaline

C18H17ClN4O — CID 166603714

IUPAC6-chloro-2-(3-pyridin-3-yloxypiperidin-1-yl)quinoxaline
SMILESClc1ccc2nc(N3CCCC(Oc4cccnc4)C3)cnc2c1
InChIInChI=1S/C18H17ClN4O/c19-13-5-6-16-17(9-13)21-11-18(22-16)23-8-2-4-15(12-23)24-14-3-1-7-20-10-14/h1,3,5-7,9-11,15H,2,4,8,12H2
InChIKeyBBRRIWNVWOUECA-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.73
Rot. Bonds3

About 6-chloro-2-(3-pyridin-3-yloxypiperidin-1-yl)quinoxaline

6-chloro-2-(3-pyridin-3-yloxypiperidin-1-yl)quinoxaline (PubChem CID 166603714) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 6-chloro-2-(3-pyridin-3-yloxypiperidin-1-yl)quinoxaline.

Molecular Properties

Compound Name6-chloro-2-(3-pyridin-3-yloxypiperidin-1-yl)quinoxaline
PubChem CID166603714
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name6-chloro-2-(3-pyridin-3-yloxypiperidin-1-yl)quinoxaline
SMILESClc1ccc2nc(N3CCCC(Oc4cccnc4)C3)cnc2c1
InChIInChI=1S/C18H17ClN4O/c19-13-5-6-16-17(9-13)21-11-18(22-16)23-8-2-4-15(12-23)24-14-3-1-7-20-10-14/h1,3,5-7,9-11,15H,2,4,8,12H2
InChIKeyBBRRIWNVWOUECA-UHFFFAOYSA-N
XLogP3.73
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-pyridin-3-yloxypiperidin-1-yl)quinoxaline?
The IUPAC name of 6-chloro-2-(3-pyridin-3-yloxypiperidin-1-yl)quinoxaline (CID 166603714) is 6-chloro-2-(3-pyridin-3-yloxypiperidin-1-yl)quinoxaline.
What is the SMILES notation for 6-chloro-2-(3-pyridin-3-yloxypiperidin-1-yl)quinoxaline?
The canonical SMILES for 6-chloro-2-(3-pyridin-3-yloxypiperidin-1-yl)quinoxaline is Clc1ccc2nc(N3CCCC(Oc4cccnc4)C3)cnc2c1.
What is the InChIKey of 6-chloro-2-(3-pyridin-3-yloxypiperidin-1-yl)quinoxaline?
The InChIKey is BBRRIWNVWOUECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c19-13-5-6-16-17(9-13)21-11-18(22-16)23-8-2-4-15(12-23)24-14-3-1-7-20-10-14/h1,3,5-7,9-11,15H,2,4,8,12H2.
What are the key properties of 6-chloro-2-(3-pyridin-3-yloxypiperidin-1-yl)quinoxaline?
6-chloro-2-(3-pyridin-3-yloxypiperidin-1-yl)quinoxaline has a molecular weight of 340.81 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-pyridin-3-yloxypiperidin-1-yl)quinoxaline is sourced from PubChem (CID 166603714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).