methyl 7-methoxy-5-[(6-methyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate

C17H16N2O4 — CID 58237066

IUPACmethyl 7-methoxy-5-[(6-methyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2cc(Oc3ccc(C)nc3)cc(OC)c2[nH]1
InChIInChI=1S/C17H16N2O4/c1-10-4-5-12(9-18-10)23-13-6-11-7-14(17(20)22-3)19-16(11)15(8-13)21-2/h4-9,19H,1-3H3
InChIKeyOOUISIRIYIOTKN-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.46
Rot. Bonds4

About methyl 7-methoxy-5-[(6-methyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate

methyl 7-methoxy-5-[(6-methyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate (PubChem CID 58237066) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is methyl 7-methoxy-5-[(6-methyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-5-[(6-methyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate
PubChem CID58237066
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Namemethyl 7-methoxy-5-[(6-methyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2cc(Oc3ccc(C)nc3)cc(OC)c2[nH]1
InChIInChI=1S/C17H16N2O4/c1-10-4-5-12(9-18-10)23-13-6-11-7-14(17(20)22-3)19-16(11)15(8-13)21-2/h4-9,19H,1-3H3
InChIKeyOOUISIRIYIOTKN-UHFFFAOYSA-N
XLogP3.46
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-5-[(6-methyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate?
The IUPAC name of methyl 7-methoxy-5-[(6-methyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate (CID 58237066) is methyl 7-methoxy-5-[(6-methyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 7-methoxy-5-[(6-methyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate?
The canonical SMILES for methyl 7-methoxy-5-[(6-methyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate is COC(=O)c1cc2cc(Oc3ccc(C)nc3)cc(OC)c2[nH]1.
What is the InChIKey of methyl 7-methoxy-5-[(6-methyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate?
The InChIKey is OOUISIRIYIOTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-10-4-5-12(9-18-10)23-13-6-11-7-14(17(20)22-3)19-16(11)15(8-13)21-2/h4-9,19H,1-3H3.
What are the key properties of methyl 7-methoxy-5-[(6-methyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate?
methyl 7-methoxy-5-[(6-methyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate has a molecular weight of 312.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-5-[(6-methyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate is sourced from PubChem (CID 58237066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).