1-chloro-8-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline

C13H17ClN2 — CID 114426916

IUPAC1-chloro-8-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline
SMILESCC1CCN2c3c(Cl)cccc3NCC2C1
InChIInChI=1S/C13H17ClN2/c1-9-5-6-16-10(7-9)8-15-12-4-2-3-11(14)13(12)16/h2-4,9-10,15H,5-8H2,1H3
InChIKeyCNOSMZVKRZCRLK-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.37
Rot. Bonds

About 1-chloro-8-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline

1-chloro-8-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline (PubChem CID 114426916) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 1-chloro-8-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline.

Molecular Properties

Compound Name1-chloro-8-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline
PubChem CID114426916
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name1-chloro-8-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline
SMILESCC1CCN2c3c(Cl)cccc3NCC2C1
InChIInChI=1S/C13H17ClN2/c1-9-5-6-16-10(7-9)8-15-12-4-2-3-11(14)13(12)16/h2-4,9-10,15H,5-8H2,1H3
InChIKeyCNOSMZVKRZCRLK-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-8-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline?
The IUPAC name of 1-chloro-8-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline (CID 114426916) is 1-chloro-8-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline.
What is the SMILES notation for 1-chloro-8-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline?
The canonical SMILES for 1-chloro-8-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline is CC1CCN2c3c(Cl)cccc3NCC2C1.
What is the InChIKey of 1-chloro-8-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline?
The InChIKey is CNOSMZVKRZCRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-9-5-6-16-10(7-9)8-15-12-4-2-3-11(14)13(12)16/h2-4,9-10,15H,5-8H2,1H3.
What are the key properties of 1-chloro-8-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline?
1-chloro-8-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline has a molecular weight of 236.75 g/mol, XLogP of 3.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-8-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline is sourced from PubChem (CID 114426916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).