10-chloro-9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline

C12H14ClFN2 — CID 134141127

IUPAC10-chloro-9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
SMILESFc1ccc2c(c1Cl)N1CCNCC1CC2
InChIInChI=1S/C12H14ClFN2/c13-11-10(14)4-2-8-1-3-9-7-15-5-6-16(9)12(8)11/h2,4,9,15H,1,3,5-7H2
InChIKeyHOZXWTAUGLXWQL-UHFFFAOYSA-N
MW240.71 g/mol
LogP2.20
Rot. Bonds

About 10-chloro-9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline

10-chloro-9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline (PubChem CID 134141127) has the molecular formula C12H14ClFN2 and a molecular weight of 240.71 g/mol. Its IUPAC name is 10-chloro-9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline.

Molecular Properties

Compound Name10-chloro-9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
PubChem CID134141127
Molecular FormulaC12H14ClFN2
Molecular Weight240.71 g/mol
Exact Mass240.08
IUPAC Name10-chloro-9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
SMILESFc1ccc2c(c1Cl)N1CCNCC1CC2
InChIInChI=1S/C12H14ClFN2/c13-11-10(14)4-2-8-1-3-9-7-15-5-6-16(9)12(8)11/h2,4,9,15H,1,3,5-7H2
InChIKeyHOZXWTAUGLXWQL-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 10-chloro-9-fluoro-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

Frequently Asked Questions

What is the IUPAC name of 10-chloro-9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
The IUPAC name of 10-chloro-9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline (CID 134141127) is 10-chloro-9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline.
What is the SMILES notation for 10-chloro-9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
The canonical SMILES for 10-chloro-9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline is Fc1ccc2c(c1Cl)N1CCNCC1CC2.
What is the InChIKey of 10-chloro-9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
The InChIKey is HOZXWTAUGLXWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2/c13-11-10(14)4-2-8-1-3-9-7-15-5-6-16(9)12(8)11/h2,4,9,15H,1,3,5-7H2.
What are the key properties of 10-chloro-9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
10-chloro-9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline has a molecular weight of 240.71 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline is sourced from PubChem (CID 134141127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).