(4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;(4R)-7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride

C24H23Cl5N4O — CID 157172377

IUPAC(4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;(4R)-7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride
SMILESC[C@@H]1CNC(=O)c2cc3cc(Cl)c(Cl)cc3n21.C[C@@H]1CNCc2cc3cc(Cl)c(Cl)cc3n21.Cl
InChIInChI=1S/C12H10Cl2N2O.C12H12Cl2N2.ClH/c1-6-5-15-12(17)11-3-7-2-8(13)9(14)4-10(7)16(6)11;1-7-5-15-6-9-2-8-3-10(13)11(14)4-12(8)16(7)9;/h2-4,6H,5H2,1H3,(H,15,17);2-4,7,15H,5-6H2,1H3;1H/t6-;7-;/m11./s1
InChIKeyDTIVVHTVPMWBGJ-CAOTWCMHSA-N
MW560.74 g/mol
LogP7.29
Rot. Bonds

About (4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;(4R)-7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride

(4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;(4R)-7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride (PubChem CID 157172377) has the molecular formula C24H23Cl5N4O and a molecular weight of 560.74 g/mol. Its IUPAC name is (4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;(4R)-7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride.

Molecular Properties

Compound Name(4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;(4R)-7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride
PubChem CID157172377
Molecular FormulaC24H23Cl5N4O
Molecular Weight560.74 g/mol
Exact Mass558.03
IUPAC Name(4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;(4R)-7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride
SMILESC[C@@H]1CNC(=O)c2cc3cc(Cl)c(Cl)cc3n21.C[C@@H]1CNCc2cc3cc(Cl)c(Cl)cc3n21.Cl
InChIInChI=1S/C12H10Cl2N2O.C12H12Cl2N2.ClH/c1-6-5-15-12(17)11-3-7-2-8(13)9(14)4-10(7)16(6)11;1-7-5-15-6-9-2-8-3-10(13)11(14)4-12(8)16(7)9;/h2-4,6H,5H2,1H3,(H,15,17);2-4,7,15H,5-6H2,1H3;1H/t6-;7-;/m11./s1
InChIKeyDTIVVHTVPMWBGJ-CAOTWCMHSA-N
XLogP7.29
TPSA50.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.74
LogP ≤ 57.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;(4R)-7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;(4R)-7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride?
The IUPAC name of (4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;(4R)-7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride (CID 157172377) is (4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;(4R)-7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride.
What is the SMILES notation for (4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;(4R)-7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride?
The canonical SMILES for (4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;(4R)-7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride is C[C@@H]1CNC(=O)c2cc3cc(Cl)c(Cl)cc3n21.C[C@@H]1CNCc2cc3cc(Cl)c(Cl)cc3n21.Cl.
What is the InChIKey of (4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;(4R)-7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride?
The InChIKey is DTIVVHTVPMWBGJ-CAOTWCMHSA-N. The full InChI is InChI=1S/C12H10Cl2N2O.C12H12Cl2N2.ClH/c1-6-5-15-12(17)11-3-7-2-8(13)9(14)4-10(7)16(6)11;1-7-5-15-6-9-2-8-3-10(13)11(14)4-12(8)16(7)9;/h2-4,6H,5H2,1H3,(H,15,17);2-4,7,15H,5-6H2,1H3;1H/t6-;7-;/m11./s1.
What are the key properties of (4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;(4R)-7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride?
(4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;(4R)-7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride has a molecular weight of 560.74 g/mol, XLogP of 7.29, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;(4R)-7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride is sourced from PubChem (CID 157172377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).