8-Chloro-6-(4-methoxy-phenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

C19H17ClN2O2 — CID 73335107

IUPAC8-chloro-6-(4-methoxyphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCC1=C2C(=O)NCCN2C3=C1C=C(C=C3C4=CC=C(C=C4)OC)Cl
InChIInChI=1S/C19H17ClN2O2/c1-11-15-9-13(20)10-16(12-3-5-14(24-2)6-4-12)18(15)22-8-7-21-19(23)17(11)22/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)
InChIKeyOBQPXGHMSVAMLB-UHFFFAOYSA-N
MW340.80 g/mol
LogP3.90
Rot. Bonds2

About 8-Chloro-6-(4-methoxy-phenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

8-Chloro-6-(4-methoxy-phenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 73335107) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.80 g/mol. Its IUPAC name is 8-chloro-6-(4-methoxyphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name8-Chloro-6-(4-methoxy-phenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID73335107
Molecular FormulaC19H17ClN2O2
Molecular Weight340.80 g/mol
Exact Mass340.10
IUPAC Name8-chloro-6-(4-methoxyphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCC1=C2C(=O)NCCN2C3=C1C=C(C=C3C4=CC=C(C=C4)OC)Cl
InChIInChI=1S/C19H17ClN2O2/c1-11-15-9-13(20)10-16(12-3-5-14(24-2)6-4-12)18(15)22-8-7-21-19(23)17(11)22/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)
InChIKeyOBQPXGHMSVAMLB-UHFFFAOYSA-N
XLogP3.90
TPSA43.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity480

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.80
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 8-Chloro-6-(4-methoxy-phenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one with MolForge

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Related Compounds

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CID 4292
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1H-Indole-2-carboxamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
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Indomethacin-amide derivative, 21
CID 42618097
Indomethacin-amide derivative, 22
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(5-chloro-1H-indol-2-yl)[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 3972918
5-chloro-N'-[(1Z)-1-(2,5-dimethoxyphenyl)ethylidene]-1-methyl-1H-indole-2-carbohydrazide
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CID 9825900
3-(4-(3-((5-chloro-1,3-dimethyl-1H-indole-2-carboxamido)methyl)phenoxy)-2-methylphenyl)propanoic acid
CID 11488726
1-[(5-chloro-2-methoxyphenyl)methyl]-5-cyano-N-(3-hydroxy-2,2-dimethylpropyl)indole-2-carboxamide
CID 24890017

Frequently Asked Questions

What is the IUPAC name of 8-Chloro-6-(4-methoxy-phenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of 8-Chloro-6-(4-methoxy-phenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 73335107) is 8-chloro-6-(4-methoxyphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 8-Chloro-6-(4-methoxy-phenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for 8-Chloro-6-(4-methoxy-phenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is CC1=C2C(=O)NCCN2C3=C1C=C(C=C3C4=CC=C(C=C4)OC)Cl.
What is the InChIKey of 8-Chloro-6-(4-methoxy-phenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is OBQPXGHMSVAMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-11-15-9-13(20)10-16(12-3-5-14(24-2)6-4-12)18(15)22-8-7-21-19(23)17(11)22/h3-6,9-10H,7-8H2,1-2H3,(H,21,23).
What are the key properties of 8-Chloro-6-(4-methoxy-phenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
8-Chloro-6-(4-methoxy-phenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 340.80 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-Chloro-6-(4-methoxy-phenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 73335107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).