8-(3-chloroquinoxalin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane

C15H16ClN3O2 — CID 2002727

IUPAC8-(3-chloroquinoxalin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESClc1nc2ccccc2nc1N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H16ClN3O2/c16-13-14(18-12-4-2-1-3-11(12)17-13)19-7-5-15(6-8-19)20-9-10-21-15/h1-4H,5-10H2
InChIKeyTVLRCCGOIKTQRK-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.63
Rot. Bonds1

About 8-(3-chloroquinoxalin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(3-chloroquinoxalin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 2002727) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is 8-(3-chloroquinoxalin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3-chloroquinoxalin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID2002727
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name8-(3-chloroquinoxalin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESClc1nc2ccccc2nc1N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H16ClN3O2/c16-13-14(18-12-4-2-1-3-11(12)17-13)19-7-5-15(6-8-19)20-9-10-21-15/h1-4H,5-10H2
InChIKeyTVLRCCGOIKTQRK-UHFFFAOYSA-N
XLogP2.63
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-chloroquinoxalin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(3-chloroquinoxalin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 2002727) is 8-(3-chloroquinoxalin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(3-chloroquinoxalin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(3-chloroquinoxalin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane is Clc1nc2ccccc2nc1N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(3-chloroquinoxalin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is TVLRCCGOIKTQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-13-14(18-12-4-2-1-3-11(12)17-13)19-7-5-15(6-8-19)20-9-10-21-15/h1-4H,5-10H2.
What are the key properties of 8-(3-chloroquinoxalin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(3-chloroquinoxalin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 305.76 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloroquinoxalin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 2002727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).