9-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline

C12H16N2O — CID 84620310

IUPAC9-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
SMILESCOc1cccc2c1N1CCCC1CN2
InChIInChI=1S/C12H16N2O/c1-15-11-6-2-5-10-12(11)14-7-3-4-9(14)8-13-10/h2,5-6,9,13H,3-4,7-8H2,1H3
InChIKeyQZMSFRPANPAOFN-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.09
Rot. Bonds1

About 9-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline

9-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline (PubChem CID 84620310) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 9-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name9-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
PubChem CID84620310
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name9-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
SMILESCOc1cccc2c1N1CCCC1CN2
InChIInChI=1S/C12H16N2O/c1-15-11-6-2-5-10-12(11)14-7-3-4-9(14)8-13-10/h2,5-6,9,13H,3-4,7-8H2,1H3
InChIKeyQZMSFRPANPAOFN-UHFFFAOYSA-N
XLogP2.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
CID 84624318
5-methoxy-4-methyl-3-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 84623748
3-ethyl-5-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline
CID 84620814
5,6,6a,7,8,9,10,11-octahydroazepino[1,2-a]quinoxaline
CID 10488339
1-cyclopropyl-9-methoxy-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 115030830
(3aS)-7-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
CID 82404880
4-ethoxy-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline
CID 113393246
6-methoxy-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane]
CID 115099270
5-methoxy-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]
CID 115097269
5-methoxy-4-methyl-2-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 84623746
8-tert-butyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
CID 84626454
(6S)-2,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-triene
CID 82411081

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline?
The IUPAC name of 9-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline (CID 84620310) is 9-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 9-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 9-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline is COc1cccc2c1N1CCCC1CN2.
What is the InChIKey of 9-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline?
The InChIKey is QZMSFRPANPAOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-15-11-6-2-5-10-12(11)14-7-3-4-9(14)8-13-10/h2,5-6,9,13H,3-4,7-8H2,1H3.
What are the key properties of 9-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline?
9-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline has a molecular weight of 204.27 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 84620310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).