3-chloro-5,6a,7,8,8a,9,10,11,12,12a-decahydroquinolino[1,2-a]quinoxalin-6-one

C16H19ClN2O — CID 79269862

IUPAC3-chloro-5,6a,7,8,8a,9,10,11,12,12a-decahydroquinolino[1,2-a]quinoxalin-6-one
SMILESO=C1Nc2cc(Cl)ccc2N2C1CCC1CCCCC12
InChIInChI=1S/C16H19ClN2O/c17-11-6-8-14-12(9-11)18-16(20)15-7-5-10-3-1-2-4-13(10)19(14)15/h6,8-10,13,15H,1-5,7H2,(H,18,20)
InChIKeyHYUAVFQNJACBHD-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.82
Rot. Bonds

About 3-chloro-5,6a,7,8,8a,9,10,11,12,12a-decahydroquinolino[1,2-a]quinoxalin-6-one

3-chloro-5,6a,7,8,8a,9,10,11,12,12a-decahydroquinolino[1,2-a]quinoxalin-6-one (PubChem CID 79269862) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 3-chloro-5,6a,7,8,8a,9,10,11,12,12a-decahydroquinolino[1,2-a]quinoxalin-6-one.

Molecular Properties

Compound Name3-chloro-5,6a,7,8,8a,9,10,11,12,12a-decahydroquinolino[1,2-a]quinoxalin-6-one
PubChem CID79269862
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name3-chloro-5,6a,7,8,8a,9,10,11,12,12a-decahydroquinolino[1,2-a]quinoxalin-6-one
SMILESO=C1Nc2cc(Cl)ccc2N2C1CCC1CCCCC12
InChIInChI=1S/C16H19ClN2O/c17-11-6-8-14-12(9-11)18-16(20)15-7-5-10-3-1-2-4-13(10)19(14)15/h6,8-10,13,15H,1-5,7H2,(H,18,20)
InChIKeyHYUAVFQNJACBHD-UHFFFAOYSA-N
XLogP3.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5,6a,7,8,8a,9,10,11,12,12a-decahydroquinolino[1,2-a]quinoxalin-6-one?
The IUPAC name of 3-chloro-5,6a,7,8,8a,9,10,11,12,12a-decahydroquinolino[1,2-a]quinoxalin-6-one (CID 79269862) is 3-chloro-5,6a,7,8,8a,9,10,11,12,12a-decahydroquinolino[1,2-a]quinoxalin-6-one.
What is the SMILES notation for 3-chloro-5,6a,7,8,8a,9,10,11,12,12a-decahydroquinolino[1,2-a]quinoxalin-6-one?
The canonical SMILES for 3-chloro-5,6a,7,8,8a,9,10,11,12,12a-decahydroquinolino[1,2-a]quinoxalin-6-one is O=C1Nc2cc(Cl)ccc2N2C1CCC1CCCCC12.
What is the InChIKey of 3-chloro-5,6a,7,8,8a,9,10,11,12,12a-decahydroquinolino[1,2-a]quinoxalin-6-one?
The InChIKey is HYUAVFQNJACBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c17-11-6-8-14-12(9-11)18-16(20)15-7-5-10-3-1-2-4-13(10)19(14)15/h6,8-10,13,15H,1-5,7H2,(H,18,20).
What are the key properties of 3-chloro-5,6a,7,8,8a,9,10,11,12,12a-decahydroquinolino[1,2-a]quinoxalin-6-one?
3-chloro-5,6a,7,8,8a,9,10,11,12,12a-decahydroquinolino[1,2-a]quinoxalin-6-one has a molecular weight of 290.79 g/mol, XLogP of 3.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5,6a,7,8,8a,9,10,11,12,12a-decahydroquinolino[1,2-a]quinoxalin-6-one is sourced from PubChem (CID 79269862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).