8-chloro-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one

C12H13ClN2O — CID 115107511

IUPAC8-chloro-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one
SMILESO=C1NCCN2c3ccc(Cl)cc3CCC12
InChIInChI=1S/C12H13ClN2O/c13-9-2-4-10-8(7-9)1-3-11-12(16)14-5-6-15(10)11/h2,4,7,11H,1,3,5-6H2,(H,14,16)
InChIKeyAVEHUVJLGLEQAG-UHFFFAOYSA-N
MW236.70 g/mol
LogP1.59
Rot. Bonds

About 8-chloro-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one

8-chloro-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one (PubChem CID 115107511) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 8-chloro-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one.

Molecular Properties

Compound Name8-chloro-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one
PubChem CID115107511
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name8-chloro-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one
SMILESO=C1NCCN2c3ccc(Cl)cc3CCC12
InChIInChI=1S/C12H13ClN2O/c13-9-2-4-10-8(7-9)1-3-11-12(16)14-5-6-15(10)11/h2,4,7,11H,1,3,5-6H2,(H,14,16)
InChIKeyAVEHUVJLGLEQAG-UHFFFAOYSA-N
XLogP1.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-chloro-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one with MolForge

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Related Compounds

8-(trifluoromethyl)-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one
CID 115107508
(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)oxolan-2-one
CID 59465621
7-methoxy-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one
CID 115107521
8-methoxy-3,4,10,10a-tetrahydro-2H-pyrazino[1,2-a]indol-1-one
CID 67568661
2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-oxoazepan-3-yl)acetamide
CID 60509494
4-[4-chloro-2-(methylaminomethyl)phenyl]-3-ethylpiperazin-2-one
CID 114851218
4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)pyrrolidin-2-one;methane
CID 159512133
3,4,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,6-dione
CID 123141221
4-chloro-2-(2-methyl-3-oxopiperazin-1-yl)benzoic acid
CID 114845046
3-(5-chloroindol-1-yl)pyrrolidin-2-one
CID 141178980
5-chloro-2-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile
CID 96547785
3-(6-ethyl-3,4-dihydro-2H-quinolin-1-yl)piperidine-2,6-dione
CID 170614731

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one?
The IUPAC name of 8-chloro-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one (CID 115107511) is 8-chloro-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one.
What is the SMILES notation for 8-chloro-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one?
The canonical SMILES for 8-chloro-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one is O=C1NCCN2c3ccc(Cl)cc3CCC12.
What is the InChIKey of 8-chloro-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one?
The InChIKey is AVEHUVJLGLEQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c13-9-2-4-10-8(7-9)1-3-11-12(16)14-5-6-15(10)11/h2,4,7,11H,1,3,5-6H2,(H,14,16).
What are the key properties of 8-chloro-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one?
8-chloro-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one has a molecular weight of 236.70 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one is sourced from PubChem (CID 115107511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).