dimethyl 2-methoxy-5-methylpyrido[3,2-b]indole-8,9-dicarboxylate

C17H16N2O5 — CID 10544249

IUPACdimethyl 2-methoxy-5-methylpyrido[3,2-b]indole-8,9-dicarboxylate
SMILESCOC(=O)c1ccc2c(c1C(=O)OC)c1nc(OC)ccc1n2C
InChIInChI=1S/C17H16N2O5/c1-19-10-6-5-9(16(20)23-3)13(17(21)24-4)14(10)15-11(19)7-8-12(18-15)22-2/h5-8H,1-4H3
InChIKeyVHWBRPLDDVZZAB-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.31
Rot. Bonds3

About dimethyl 2-methoxy-5-methylpyrido[3,2-b]indole-8,9-dicarboxylate

dimethyl 2-methoxy-5-methylpyrido[3,2-b]indole-8,9-dicarboxylate (PubChem CID 10544249) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is dimethyl 2-methoxy-5-methylpyrido[3,2-b]indole-8,9-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-methoxy-5-methylpyrido[3,2-b]indole-8,9-dicarboxylate
PubChem CID10544249
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Namedimethyl 2-methoxy-5-methylpyrido[3,2-b]indole-8,9-dicarboxylate
SMILESCOC(=O)c1ccc2c(c1C(=O)OC)c1nc(OC)ccc1n2C
InChIInChI=1S/C17H16N2O5/c1-19-10-6-5-9(16(20)23-3)13(17(21)24-4)14(10)15-11(19)7-8-12(18-15)22-2/h5-8H,1-4H3
InChIKeyVHWBRPLDDVZZAB-UHFFFAOYSA-N
XLogP2.31
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-methoxy-5-methylpyrido[3,2-b]indole-8,9-dicarboxylate?
The IUPAC name of dimethyl 2-methoxy-5-methylpyrido[3,2-b]indole-8,9-dicarboxylate (CID 10544249) is dimethyl 2-methoxy-5-methylpyrido[3,2-b]indole-8,9-dicarboxylate.
What is the SMILES notation for dimethyl 2-methoxy-5-methylpyrido[3,2-b]indole-8,9-dicarboxylate?
The canonical SMILES for dimethyl 2-methoxy-5-methylpyrido[3,2-b]indole-8,9-dicarboxylate is COC(=O)c1ccc2c(c1C(=O)OC)c1nc(OC)ccc1n2C.
What is the InChIKey of dimethyl 2-methoxy-5-methylpyrido[3,2-b]indole-8,9-dicarboxylate?
The InChIKey is VHWBRPLDDVZZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-19-10-6-5-9(16(20)23-3)13(17(21)24-4)14(10)15-11(19)7-8-12(18-15)22-2/h5-8H,1-4H3.
What are the key properties of dimethyl 2-methoxy-5-methylpyrido[3,2-b]indole-8,9-dicarboxylate?
dimethyl 2-methoxy-5-methylpyrido[3,2-b]indole-8,9-dicarboxylate has a molecular weight of 328.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-methoxy-5-methylpyrido[3,2-b]indole-8,9-dicarboxylate is sourced from PubChem (CID 10544249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).