methyl 2-[(6R,8R)-5,10-dimethoxy-6-methyl-4-oxo-1,6,8,9-tetrahydropyrano[3,4-g]quinolin-8-yl]acetate

C18H21NO6 — CID 11810162

IUPACmethyl 2-[(6R,8R)-5,10-dimethoxy-6-methyl-4-oxo-1,6,8,9-tetrahydropyrano[3,4-g]quinolin-8-yl]acetate
SMILESCOC(=O)C[C@H]1Cc2c(c(OC)c3c(=O)cc[nH]c3c2OC)[C@@H](C)O1
InChIInChI=1S/C18H21NO6/c1-9-14-11(7-10(25-9)8-13(21)22-2)17(23-3)16-15(18(14)24-4)12(20)5-6-19-16/h5-6,9-10H,7-8H2,1-4H3,(H,19,20)/t9-,10-/m1/s1
InChIKeyKDIQGFHOYPGEOQ-NXEZZACHSA-N
MW347.37 g/mol
LogP2.11
Rot. Bonds4

About methyl 2-[(6R,8R)-5,10-dimethoxy-6-methyl-4-oxo-1,6,8,9-tetrahydropyrano[3,4-g]quinolin-8-yl]acetate

methyl 2-[(6R,8R)-5,10-dimethoxy-6-methyl-4-oxo-1,6,8,9-tetrahydropyrano[3,4-g]quinolin-8-yl]acetate (PubChem CID 11810162) has the molecular formula C18H21NO6 and a molecular weight of 347.37 g/mol. Its IUPAC name is methyl 2-[(6R,8R)-5,10-dimethoxy-6-methyl-4-oxo-1,6,8,9-tetrahydropyrano[3,4-g]quinolin-8-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(6R,8R)-5,10-dimethoxy-6-methyl-4-oxo-1,6,8,9-tetrahydropyrano[3,4-g]quinolin-8-yl]acetate
PubChem CID11810162
Molecular FormulaC18H21NO6
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Namemethyl 2-[(6R,8R)-5,10-dimethoxy-6-methyl-4-oxo-1,6,8,9-tetrahydropyrano[3,4-g]quinolin-8-yl]acetate
SMILESCOC(=O)C[C@H]1Cc2c(c(OC)c3c(=O)cc[nH]c3c2OC)[C@@H](C)O1
InChIInChI=1S/C18H21NO6/c1-9-14-11(7-10(25-9)8-13(21)22-2)17(23-3)16-15(18(14)24-4)12(20)5-6-19-16/h5-6,9-10H,7-8H2,1-4H3,(H,19,20)/t9-,10-/m1/s1
InChIKeyKDIQGFHOYPGEOQ-NXEZZACHSA-N
XLogP2.11
TPSA86.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6R,8R)-5,10-dimethoxy-6-methyl-4-oxo-1,6,8,9-tetrahydropyrano[3,4-g]quinolin-8-yl]acetate?
The IUPAC name of methyl 2-[(6R,8R)-5,10-dimethoxy-6-methyl-4-oxo-1,6,8,9-tetrahydropyrano[3,4-g]quinolin-8-yl]acetate (CID 11810162) is methyl 2-[(6R,8R)-5,10-dimethoxy-6-methyl-4-oxo-1,6,8,9-tetrahydropyrano[3,4-g]quinolin-8-yl]acetate.
What is the SMILES notation for methyl 2-[(6R,8R)-5,10-dimethoxy-6-methyl-4-oxo-1,6,8,9-tetrahydropyrano[3,4-g]quinolin-8-yl]acetate?
The canonical SMILES for methyl 2-[(6R,8R)-5,10-dimethoxy-6-methyl-4-oxo-1,6,8,9-tetrahydropyrano[3,4-g]quinolin-8-yl]acetate is COC(=O)C[C@H]1Cc2c(c(OC)c3c(=O)cc[nH]c3c2OC)[C@@H](C)O1.
What is the InChIKey of methyl 2-[(6R,8R)-5,10-dimethoxy-6-methyl-4-oxo-1,6,8,9-tetrahydropyrano[3,4-g]quinolin-8-yl]acetate?
The InChIKey is KDIQGFHOYPGEOQ-NXEZZACHSA-N. The full InChI is InChI=1S/C18H21NO6/c1-9-14-11(7-10(25-9)8-13(21)22-2)17(23-3)16-15(18(14)24-4)12(20)5-6-19-16/h5-6,9-10H,7-8H2,1-4H3,(H,19,20)/t9-,10-/m1/s1.
What are the key properties of methyl 2-[(6R,8R)-5,10-dimethoxy-6-methyl-4-oxo-1,6,8,9-tetrahydropyrano[3,4-g]quinolin-8-yl]acetate?
methyl 2-[(6R,8R)-5,10-dimethoxy-6-methyl-4-oxo-1,6,8,9-tetrahydropyrano[3,4-g]quinolin-8-yl]acetate has a molecular weight of 347.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6R,8R)-5,10-dimethoxy-6-methyl-4-oxo-1,6,8,9-tetrahydropyrano[3,4-g]quinolin-8-yl]acetate is sourced from PubChem (CID 11810162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).