(4aS)-9-methoxy-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline

C13H18N2O — CID 11148681

IUPAC(4aS)-9-methoxy-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
SMILESCOc1ccc2c(c1)N1CCNC[C@@H]1CC2
InChIInChI=1S/C13H18N2O/c1-16-12-5-3-10-2-4-11-9-14-6-7-15(11)13(10)8-12/h3,5,8,11,14H,2,4,6-7,9H2,1H3/t11-/m0/s1
InChIKeyOIMFJPCHOMYQHE-NSHDSACASA-N
MW218.30 g/mol
LogP1.42
Rot. Bonds1

About (4aS)-9-methoxy-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline

(4aS)-9-methoxy-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline (PubChem CID 11148681) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (4aS)-9-methoxy-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline.

Molecular Properties

Compound Name(4aS)-9-methoxy-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
PubChem CID11148681
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(4aS)-9-methoxy-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
SMILESCOc1ccc2c(c1)N1CCNC[C@@H]1CC2
InChIInChI=1S/C13H18N2O/c1-16-12-5-3-10-2-4-11-9-14-6-7-15(11)13(10)8-12/h3,5,8,11,14H,2,4,6-7,9H2,1H3/t11-/m0/s1
InChIKeyOIMFJPCHOMYQHE-NSHDSACASA-N
XLogP1.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4aS)-9-methoxy-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dimethoxyphenyl)-2-methylpiperazine
CID 64938786
2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a][1,6]naphthyridine
CID 134265703
6-fluoro-1-pyrrolidin-3-yl-2,3-dihydroindole
CID 103495858
1-(2,4-dimethoxyphenyl)-2-propan-2-ylpiperazine
CID 64938228
3-methoxy-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine
CID 105472853
1-(azepan-3-yl)-6-fluoro-2,3-dihydroindole
CID 103503437
3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine
CID 79368569
9-methoxy-1,2,3,4,6,10b-hexahydropyrazino[2,1-a]isoindole
CID 23456506
2-[4-[(4aR)-9-methoxy-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl]butyl]isoindole-1,3-dione
CID 11327592
9-(2,4-dimethoxyphenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole
CID 22720607
1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxy-2,3-dihydroindole
CID 22038156
1-pyrrolidin-3-yl-2,3-dihydroindole;dihydrochloride
CID 53407976

Frequently Asked Questions

What is the IUPAC name of (4aS)-9-methoxy-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
The IUPAC name of (4aS)-9-methoxy-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline (CID 11148681) is (4aS)-9-methoxy-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline.
What is the SMILES notation for (4aS)-9-methoxy-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
The canonical SMILES for (4aS)-9-methoxy-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline is COc1ccc2c(c1)N1CCNC[C@@H]1CC2.
What is the InChIKey of (4aS)-9-methoxy-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
The InChIKey is OIMFJPCHOMYQHE-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N2O/c1-16-12-5-3-10-2-4-11-9-14-6-7-15(11)13(10)8-12/h3,5,8,11,14H,2,4,6-7,9H2,1H3/t11-/m0/s1.
What are the key properties of (4aS)-9-methoxy-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
(4aS)-9-methoxy-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline has a molecular weight of 218.30 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS)-9-methoxy-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline is sourced from PubChem (CID 11148681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).