8-chloro-10-methyl-6-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

C17H14ClN3O — CID 118341150

IUPAC8-chloro-10-methyl-6-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCc1c2n(c3c(-c4cccnc4)cc(Cl)cc13)CCNC2=O
InChIInChI=1S/C17H14ClN3O/c1-10-13-7-12(18)8-14(11-3-2-4-19-9-11)16(13)21-6-5-20-17(22)15(10)21/h2-4,7-9H,5-6H2,1H3,(H,20,22)
InChIKeyCEHFBUYXNVBLBO-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.41
Rot. Bonds1

About 8-chloro-10-methyl-6-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

8-chloro-10-methyl-6-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 118341150) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 8-chloro-10-methyl-6-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name8-chloro-10-methyl-6-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID118341150
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name8-chloro-10-methyl-6-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCc1c2n(c3c(-c4cccnc4)cc(Cl)cc13)CCNC2=O
InChIInChI=1S/C17H14ClN3O/c1-10-13-7-12(18)8-14(11-3-2-4-19-9-11)16(13)21-6-5-20-17(22)15(10)21/h2-4,7-9H,5-6H2,1H3,(H,20,22)
InChIKeyCEHFBUYXNVBLBO-UHFFFAOYSA-N
XLogP3.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-chloro-10-methyl-6-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one with MolForge

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Related Compounds

6-(4-chlorophenyl)-8-fluoro-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-fluoro-6-(4-fluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 159133405
9-chloro-7-(4-methoxyphenyl)-11-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indol-1-one
CID 73335108
6-(6-chloro-3-pyridinyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile
CID 73335707
8-chloro-6-(3-fluoro-4-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 157410447
8-chloro-10-methyl-6-propyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 130281059
8-fluoro-6-(2-fluoro-4-pyridinyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 118341148
6-(4-chloro-3-fluorophenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile
CID 90035836
5-chloro-3-pyridin-3-yl-1H-pyridin-2-one
CID 46315316
8-fluoro-6-(furan-2-yl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 73335802
11-methyl-7-[6-(methylamino)-3-pyridinyl]-1-oxo-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-9-carbonitrile
CID 144567907
3-chloro-6-methyl-5-pyridin-3-yl-1H-pyridin-2-one
CID 20514967
3-(4-chloro-2-methylphenyl)pyridine
CID 46317046

Frequently Asked Questions

What is the IUPAC name of 8-chloro-10-methyl-6-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of 8-chloro-10-methyl-6-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 118341150) is 8-chloro-10-methyl-6-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 8-chloro-10-methyl-6-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for 8-chloro-10-methyl-6-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is Cc1c2n(c3c(-c4cccnc4)cc(Cl)cc13)CCNC2=O.
What is the InChIKey of 8-chloro-10-methyl-6-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is CEHFBUYXNVBLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-10-13-7-12(18)8-14(11-3-2-4-19-9-11)16(13)21-6-5-20-17(22)15(10)21/h2-4,7-9H,5-6H2,1H3,(H,20,22).
What are the key properties of 8-chloro-10-methyl-6-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
8-chloro-10-methyl-6-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 311.77 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-10-methyl-6-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 118341150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).