9-bromo-6,7-dichloro-2-ethyl-3,4-dihydropyrazino[1,2-a]indol-1-one

C13H11BrCl2N2O — CID 170426771

IUPAC9-bromo-6,7-dichloro-2-ethyl-3,4-dihydropyrazino[1,2-a]indol-1-one
SMILESCCN1CCn2c(cc3c(Br)cc(Cl)c(Cl)c32)C1=O
InChIInChI=1S/C13H11BrCl2N2O/c1-2-17-3-4-18-10(13(17)19)5-7-8(14)6-9(15)11(16)12(7)18/h5-6H,2-4H2,1H3
InChIKeyRDXHZBXDSUGWPD-UHFFFAOYSA-N
MW362.05 g/mol
LogP4.19
Rot. Bonds1

About 9-bromo-6,7-dichloro-2-ethyl-3,4-dihydropyrazino[1,2-a]indol-1-one

9-bromo-6,7-dichloro-2-ethyl-3,4-dihydropyrazino[1,2-a]indol-1-one (PubChem CID 170426771) has the molecular formula C13H11BrCl2N2O and a molecular weight of 362.05 g/mol. Its IUPAC name is 9-bromo-6,7-dichloro-2-ethyl-3,4-dihydropyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name9-bromo-6,7-dichloro-2-ethyl-3,4-dihydropyrazino[1,2-a]indol-1-one
PubChem CID170426771
Molecular FormulaC13H11BrCl2N2O
Molecular Weight362.05 g/mol
Exact Mass359.94
IUPAC Name9-bromo-6,7-dichloro-2-ethyl-3,4-dihydropyrazino[1,2-a]indol-1-one
SMILESCCN1CCn2c(cc3c(Br)cc(Cl)c(Cl)c32)C1=O
InChIInChI=1S/C13H11BrCl2N2O/c1-2-17-3-4-18-10(13(17)19)5-7-8(14)6-9(15)11(16)12(7)18/h5-6H,2-4H2,1H3
InChIKeyRDXHZBXDSUGWPD-UHFFFAOYSA-N
XLogP4.19
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.05
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

7,8-bis(chloranyl)-9-methyl-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one
CID 16750616
4-Bromo-6-chloro-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide
CID 176186012
[1-[(3,4-Dichlorophenyl)methyl]indol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 22310841
6,7-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 22338147
7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 22595951
(r)-7,8-Dichloro-4-methyl-3,4-dihydro-2h-pyrazino[1,2-a]indol-1-one
CID 68890897
(4R)-6,7-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 69415777
2-amino-1-(9-bromo-6,7-dichloro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanone
CID 169147827
1-bromo-3,4-dichloro-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one
CID 170426573
9-Bromo-6,7-dichloro-2-(2-methoxyethyl)-3,4-dihydropyrazino[1,2-a]indol-1-one
CID 170426648
ethyl 1-bromo-3,4-dichloro-9-oxo-7,8-dihydro-6H-pyrido[1,2-a]indole-8-carboxylate
CID 170426733
9-Bromo-6,7-dichloro-2-methyl-3,4-dihydropyrazino[1,2-a]indol-1-one
CID 170426738

Frequently Asked Questions

What is the IUPAC name of 9-bromo-6,7-dichloro-2-ethyl-3,4-dihydropyrazino[1,2-a]indol-1-one?
The IUPAC name of 9-bromo-6,7-dichloro-2-ethyl-3,4-dihydropyrazino[1,2-a]indol-1-one (CID 170426771) is 9-bromo-6,7-dichloro-2-ethyl-3,4-dihydropyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 9-bromo-6,7-dichloro-2-ethyl-3,4-dihydropyrazino[1,2-a]indol-1-one?
The canonical SMILES for 9-bromo-6,7-dichloro-2-ethyl-3,4-dihydropyrazino[1,2-a]indol-1-one is CCN1CCn2c(cc3c(Br)cc(Cl)c(Cl)c32)C1=O.
What is the InChIKey of 9-bromo-6,7-dichloro-2-ethyl-3,4-dihydropyrazino[1,2-a]indol-1-one?
The InChIKey is RDXHZBXDSUGWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2N2O/c1-2-17-3-4-18-10(13(17)19)5-7-8(14)6-9(15)11(16)12(7)18/h5-6H,2-4H2,1H3.
What are the key properties of 9-bromo-6,7-dichloro-2-ethyl-3,4-dihydropyrazino[1,2-a]indol-1-one?
9-bromo-6,7-dichloro-2-ethyl-3,4-dihydropyrazino[1,2-a]indol-1-one has a molecular weight of 362.05 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-6,7-dichloro-2-ethyl-3,4-dihydropyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 170426771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).