3-acetyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-4H-pyrazino[1,2-a]indol-1-one

C21H22N2O5 — CID 143131082

IUPAC3-acetyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-4H-pyrazino[1,2-a]indol-1-one
SMILESCOc1ccc(OC)c2c1cc1n2CC(C)(C(C)=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C21H22N2O5/c1-13(24)21(2)12-22-16(20(25)23(21)11-14-6-5-9-28-14)10-15-17(26-3)7-8-18(27-4)19(15)22/h5-10H,11-12H2,1-4H3
InChIKeyAPGIQUNXDJDYHE-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.26
Rot. Bonds5

About 3-acetyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-4H-pyrazino[1,2-a]indol-1-one

3-acetyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-4H-pyrazino[1,2-a]indol-1-one (PubChem CID 143131082) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-acetyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-4H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name3-acetyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-4H-pyrazino[1,2-a]indol-1-one
PubChem CID143131082
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name3-acetyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-4H-pyrazino[1,2-a]indol-1-one
SMILESCOc1ccc(OC)c2c1cc1n2CC(C)(C(C)=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C21H22N2O5/c1-13(24)21(2)12-22-16(20(25)23(21)11-14-6-5-9-28-14)10-15-17(26-3)7-8-18(27-4)19(15)22/h5-10H,11-12H2,1-4H3
InChIKeyAPGIQUNXDJDYHE-UHFFFAOYSA-N
XLogP3.26
TPSA73.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273083
(3S)-N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739591
(11S)-10-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide
CID 95067951
N-benzyl-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273132
N-cyclopentyl-2-ethyl-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide;methanol
CID 143130275
(3S)-N-cyclopentyl-2-[(2-fluorophenyl)methyl]-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739877
(3S)-N-cyclohexyl-2-[(3-fluorophenyl)methyl]-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739615
(3R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704184
(3S)-N-cyclohexyl-6,9-dimethoxy-3-methyl-1-oxo-2-[(1R)-1-phenylethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739623
10-(furan-2-ylmethyl)-11-methyl-N-(2-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 71172278
N-cyclooctyl-6,9-dimethoxy-3-methyl-2-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 22523444
N-cyclooctyl-6,9-dimethoxy-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 22523447

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-4H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of 3-acetyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-4H-pyrazino[1,2-a]indol-1-one (CID 143131082) is 3-acetyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-4H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 3-acetyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-4H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for 3-acetyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-4H-pyrazino[1,2-a]indol-1-one is COc1ccc(OC)c2c1cc1n2CC(C)(C(C)=O)N(Cc2ccco2)C1=O.
What is the InChIKey of 3-acetyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-4H-pyrazino[1,2-a]indol-1-one?
The InChIKey is APGIQUNXDJDYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-13(24)21(2)12-22-16(20(25)23(21)11-14-6-5-9-28-14)10-15-17(26-3)7-8-18(27-4)19(15)22/h5-10H,11-12H2,1-4H3.
What are the key properties of 3-acetyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-4H-pyrazino[1,2-a]indol-1-one?
3-acetyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-4H-pyrazino[1,2-a]indol-1-one has a molecular weight of 382.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-4H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 143131082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).