propan-2-yl (1R,6S)-1-hydroxy-7,10-dimethoxy-6-methyl-4-oxo-3,6-dihydro-1H-pyrazino[1,2-b]isoquinoline-2-carboxylate

C19H24N2O6 — CID 102055243

IUPACpropan-2-yl (1R,6S)-1-hydroxy-7,10-dimethoxy-6-methyl-4-oxo-3,6-dihydro-1H-pyrazino[1,2-b]isoquinoline-2-carboxylate
SMILESCOc1ccc(OC)c2c1C=C1[C@@H](O)N(C(=O)OC(C)C)CC(=O)N1[C@H]2C
InChIInChI=1S/C19H24N2O6/c1-10(2)27-19(24)20-9-16(22)21-11(3)17-12(8-13(21)18(20)23)14(25-4)6-7-15(17)26-5/h6-8,10-11,18,23H,9H2,1-5H3/t11-,18+/m0/s1
InChIKeyWZNJLTFDMBTGHX-BBATYDOGSA-N
MW376.41 g/mol
LogP2.13
Rot. Bonds3

About propan-2-yl (1R,6S)-1-hydroxy-7,10-dimethoxy-6-methyl-4-oxo-3,6-dihydro-1H-pyrazino[1,2-b]isoquinoline-2-carboxylate

propan-2-yl (1R,6S)-1-hydroxy-7,10-dimethoxy-6-methyl-4-oxo-3,6-dihydro-1H-pyrazino[1,2-b]isoquinoline-2-carboxylate (PubChem CID 102055243) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is propan-2-yl (1R,6S)-1-hydroxy-7,10-dimethoxy-6-methyl-4-oxo-3,6-dihydro-1H-pyrazino[1,2-b]isoquinoline-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (1R,6S)-1-hydroxy-7,10-dimethoxy-6-methyl-4-oxo-3,6-dihydro-1H-pyrazino[1,2-b]isoquinoline-2-carboxylate
PubChem CID102055243
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Namepropan-2-yl (1R,6S)-1-hydroxy-7,10-dimethoxy-6-methyl-4-oxo-3,6-dihydro-1H-pyrazino[1,2-b]isoquinoline-2-carboxylate
SMILESCOc1ccc(OC)c2c1C=C1[C@@H](O)N(C(=O)OC(C)C)CC(=O)N1[C@H]2C
InChIInChI=1S/C19H24N2O6/c1-10(2)27-19(24)20-9-16(22)21-11(3)17-12(8-13(21)18(20)23)14(25-4)6-7-15(17)26-5/h6-8,10-11,18,23H,9H2,1-5H3/t11-,18+/m0/s1
InChIKeyWZNJLTFDMBTGHX-BBATYDOGSA-N
XLogP2.13
TPSA88.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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propan-2-yl (3S,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
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CID 24716696
2-(3,4-dimethoxyphenyl)-1-[4-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylpiperazin-1-yl]ethanone
CID 4048681
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CID 24715846
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CID 44580085
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-propan-2-yloxycarbonylpyrrolidine-3-carboxylic acid
CID 22915275
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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (1R,6S)-1-hydroxy-7,10-dimethoxy-6-methyl-4-oxo-3,6-dihydro-1H-pyrazino[1,2-b]isoquinoline-2-carboxylate?
The IUPAC name of propan-2-yl (1R,6S)-1-hydroxy-7,10-dimethoxy-6-methyl-4-oxo-3,6-dihydro-1H-pyrazino[1,2-b]isoquinoline-2-carboxylate (CID 102055243) is propan-2-yl (1R,6S)-1-hydroxy-7,10-dimethoxy-6-methyl-4-oxo-3,6-dihydro-1H-pyrazino[1,2-b]isoquinoline-2-carboxylate.
What is the SMILES notation for propan-2-yl (1R,6S)-1-hydroxy-7,10-dimethoxy-6-methyl-4-oxo-3,6-dihydro-1H-pyrazino[1,2-b]isoquinoline-2-carboxylate?
The canonical SMILES for propan-2-yl (1R,6S)-1-hydroxy-7,10-dimethoxy-6-methyl-4-oxo-3,6-dihydro-1H-pyrazino[1,2-b]isoquinoline-2-carboxylate is COc1ccc(OC)c2c1C=C1[C@@H](O)N(C(=O)OC(C)C)CC(=O)N1[C@H]2C.
What is the InChIKey of propan-2-yl (1R,6S)-1-hydroxy-7,10-dimethoxy-6-methyl-4-oxo-3,6-dihydro-1H-pyrazino[1,2-b]isoquinoline-2-carboxylate?
The InChIKey is WZNJLTFDMBTGHX-BBATYDOGSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-10(2)27-19(24)20-9-16(22)21-11(3)17-12(8-13(21)18(20)23)14(25-4)6-7-15(17)26-5/h6-8,10-11,18,23H,9H2,1-5H3/t11-,18+/m0/s1.
What are the key properties of propan-2-yl (1R,6S)-1-hydroxy-7,10-dimethoxy-6-methyl-4-oxo-3,6-dihydro-1H-pyrazino[1,2-b]isoquinoline-2-carboxylate?
propan-2-yl (1R,6S)-1-hydroxy-7,10-dimethoxy-6-methyl-4-oxo-3,6-dihydro-1H-pyrazino[1,2-b]isoquinoline-2-carboxylate has a molecular weight of 376.41 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (1R,6S)-1-hydroxy-7,10-dimethoxy-6-methyl-4-oxo-3,6-dihydro-1H-pyrazino[1,2-b]isoquinoline-2-carboxylate is sourced from PubChem (CID 102055243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).