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

C12H9BrCl2N2O — CID 170426738

IUPAC9-bromo-6,7-dichloro-2-methyl-3,4-dihydropyrazino[1,2-a]indol-1-one
SMILESCN1CCn2c(cc3c(Br)cc(Cl)c(Cl)c32)C1=O
InChIInChI=1S/C12H9BrCl2N2O/c1-16-2-3-17-9(12(16)18)4-6-7(13)5-8(14)10(15)11(6)17/h4-5H,2-3H2,1H3
InChIKeyXCNGXORVFVQTTR-UHFFFAOYSA-N
MW348.03 g/mol
LogP3.80
Rot. Bonds

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

9-bromo-6,7-dichloro-2-methyl-3,4-dihydropyrazino[1,2-a]indol-1-one (PubChem CID 170426738) has the molecular formula C12H9BrCl2N2O and a molecular weight of 348.03 g/mol. Its IUPAC name is 9-bromo-6,7-dichloro-2-methyl-3,4-dihydropyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name9-bromo-6,7-dichloro-2-methyl-3,4-dihydropyrazino[1,2-a]indol-1-one
PubChem CID170426738
Molecular FormulaC12H9BrCl2N2O
Molecular Weight348.03 g/mol
Exact Mass345.93
IUPAC Name9-bromo-6,7-dichloro-2-methyl-3,4-dihydropyrazino[1,2-a]indol-1-one
SMILESCN1CCn2c(cc3c(Br)cc(Cl)c(Cl)c32)C1=O
InChIInChI=1S/C12H9BrCl2N2O/c1-16-2-3-17-9(12(16)18)4-6-7(13)5-8(14)10(15)11(6)17/h4-5H,2-3H2,1H3
InChIKeyXCNGXORVFVQTTR-UHFFFAOYSA-N
XLogP3.80
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.03
LogP ≤ 53.80
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-ethyl-3,4-dihydropyrazino[1,2-a]indol-1-one
CID 170426771

Frequently Asked Questions

What is the IUPAC name of 9-bromo-6,7-dichloro-2-methyl-3,4-dihydropyrazino[1,2-a]indol-1-one?
The IUPAC name of 9-bromo-6,7-dichloro-2-methyl-3,4-dihydropyrazino[1,2-a]indol-1-one (CID 170426738) is 9-bromo-6,7-dichloro-2-methyl-3,4-dihydropyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 9-bromo-6,7-dichloro-2-methyl-3,4-dihydropyrazino[1,2-a]indol-1-one?
The canonical SMILES for 9-bromo-6,7-dichloro-2-methyl-3,4-dihydropyrazino[1,2-a]indol-1-one is CN1CCn2c(cc3c(Br)cc(Cl)c(Cl)c32)C1=O.
What is the InChIKey of 9-bromo-6,7-dichloro-2-methyl-3,4-dihydropyrazino[1,2-a]indol-1-one?
The InChIKey is XCNGXORVFVQTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2O/c1-16-2-3-17-9(12(16)18)4-6-7(13)5-8(14)10(15)11(6)17/h4-5H,2-3H2,1H3.
What are the key properties of 9-bromo-6,7-dichloro-2-methyl-3,4-dihydropyrazino[1,2-a]indol-1-one?
9-bromo-6,7-dichloro-2-methyl-3,4-dihydropyrazino[1,2-a]indol-1-one has a molecular weight of 348.03 g/mol, XLogP of 3.80, 0 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-methyl-3,4-dihydropyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 170426738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).