8-(7-chloroquinoxalin-2-yl)-2,8-diazaspiro[4.5]decan-3-one

C16H17ClN4O — CID 50978661

IUPAC8-(7-chloroquinoxalin-2-yl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(c3cnc4ccc(Cl)cc4n3)CC2)CN1
InChIInChI=1S/C16H17ClN4O/c17-11-1-2-12-13(7-11)20-14(9-18-12)21-5-3-16(4-6-21)8-15(22)19-10-16/h1-2,7,9H,3-6,8,10H2,(H,19,22)
InChIKeyOOJNZJYGEATUGY-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.39
Rot. Bonds1

About 8-(7-chloroquinoxalin-2-yl)-2,8-diazaspiro[4.5]decan-3-one

8-(7-chloroquinoxalin-2-yl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 50978661) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 8-(7-chloroquinoxalin-2-yl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(7-chloroquinoxalin-2-yl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID50978661
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name8-(7-chloroquinoxalin-2-yl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(c3cnc4ccc(Cl)cc4n3)CC2)CN1
InChIInChI=1S/C16H17ClN4O/c17-11-1-2-12-13(7-11)20-14(9-18-12)21-5-3-16(4-6-21)8-15(22)19-10-16/h1-2,7,9H,3-6,8,10H2,(H,19,22)
InChIKeyOOJNZJYGEATUGY-UHFFFAOYSA-N
XLogP2.39
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(7-chloroquinoxalin-2-yl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(7-chloroquinoxalin-2-yl)-2,8-diazaspiro[4.5]decan-3-one (CID 50978661) is 8-(7-chloroquinoxalin-2-yl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(7-chloroquinoxalin-2-yl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(7-chloroquinoxalin-2-yl)-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(c3cnc4ccc(Cl)cc4n3)CC2)CN1.
What is the InChIKey of 8-(7-chloroquinoxalin-2-yl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is OOJNZJYGEATUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c17-11-1-2-12-13(7-11)20-14(9-18-12)21-5-3-16(4-6-21)8-15(22)19-10-16/h1-2,7,9H,3-6,8,10H2,(H,19,22).
What are the key properties of 8-(7-chloroquinoxalin-2-yl)-2,8-diazaspiro[4.5]decan-3-one?
8-(7-chloroquinoxalin-2-yl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 316.79 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7-chloroquinoxalin-2-yl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 50978661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).