ethyl 4-ethyl-6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate

C24H23NO3 — CID 44581811

IUPACethyl 4-ethyl-6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1ncc2c(c1CC)-c1cc(OCc3ccccc3)ccc1C2
InChIInChI=1S/C24H23NO3/c1-3-20-22-18(14-25-23(20)24(26)27-4-2)12-17-10-11-19(13-21(17)22)28-15-16-8-6-5-7-9-16/h5-11,13-14H,3-4,12,15H2,1-2H3
InChIKeyPPZSKXZNXDAMEB-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.97
Rot. Bonds6

About ethyl 4-ethyl-6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate

ethyl 4-ethyl-6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate (PubChem CID 44581811) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is ethyl 4-ethyl-6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate
PubChem CID44581811
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Nameethyl 4-ethyl-6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1ncc2c(c1CC)-c1cc(OCc3ccccc3)ccc1C2
InChIInChI=1S/C24H23NO3/c1-3-20-22-18(14-25-23(20)24(26)27-4-2)12-17-10-11-19(13-21(17)22)28-15-16-8-6-5-7-9-16/h5-11,13-14H,3-4,12,15H2,1-2H3
InChIKeyPPZSKXZNXDAMEB-UHFFFAOYSA-N
XLogP4.97
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 4-ethyl-6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate (CID 44581811) is ethyl 4-ethyl-6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-ethyl-6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate is CCOC(=O)c1ncc2c(c1CC)-c1cc(OCc3ccccc3)ccc1C2.
What is the InChIKey of ethyl 4-ethyl-6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate?
The InChIKey is PPZSKXZNXDAMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-3-20-22-18(14-25-23(20)24(26)27-4-2)12-17-10-11-19(13-21(17)22)28-15-16-8-6-5-7-9-16/h5-11,13-14H,3-4,12,15H2,1-2H3.
What are the key properties of ethyl 4-ethyl-6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate?
ethyl 4-ethyl-6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate has a molecular weight of 373.45 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-6-phenylmethoxy-9H-indeno[2,1-c]pyridine-3-carboxylate is sourced from PubChem (CID 44581811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).