ethyl 6-methoxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate

C18H19NO4 — CID 44581809

IUPACethyl 6-methoxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1ncc2c(c1COC)-c1cc(OC)ccc1C2
InChIInChI=1S/C18H19NO4/c1-4-23-18(20)17-15(10-21-2)16-12(9-19-17)7-11-5-6-13(22-3)8-14(11)16/h5-6,8-9H,4,7,10H2,1-3H3
InChIKeyNUBBYOJJEWRFNJ-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.98
Rot. Bonds5

About ethyl 6-methoxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate

ethyl 6-methoxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate (PubChem CID 44581809) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is ethyl 6-methoxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methoxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate
PubChem CID44581809
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Nameethyl 6-methoxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1ncc2c(c1COC)-c1cc(OC)ccc1C2
InChIInChI=1S/C18H19NO4/c1-4-23-18(20)17-15(10-21-2)16-12(9-19-17)7-11-5-6-13(22-3)8-14(11)16/h5-6,8-9H,4,7,10H2,1-3H3
InChIKeyNUBBYOJJEWRFNJ-UHFFFAOYSA-N
XLogP2.98
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 6-methoxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methoxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-methoxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate (CID 44581809) is ethyl 6-methoxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-methoxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-methoxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate is CCOC(=O)c1ncc2c(c1COC)-c1cc(OC)ccc1C2.
What is the InChIKey of ethyl 6-methoxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate?
The InChIKey is NUBBYOJJEWRFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-4-23-18(20)17-15(10-21-2)16-12(9-19-17)7-11-5-6-13(22-3)8-14(11)16/h5-6,8-9H,4,7,10H2,1-3H3.
What are the key properties of ethyl 6-methoxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate?
ethyl 6-methoxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate has a molecular weight of 313.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methoxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate is sourced from PubChem (CID 44581809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).