ethyl 4-ethyl-6-(naphthalen-1-ylmethoxy)-9H-pyrido[3,4-b]indole-3-carboxylate

C27H24N2O3 — CID 10320152

IUPACethyl 4-ethyl-6-(naphthalen-1-ylmethoxy)-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1ncc2[nH]c3ccc(OCc4cccc5ccccc45)cc3c2c1CC
InChIInChI=1S/C27H24N2O3/c1-3-20-25-22-14-19(32-16-18-10-7-9-17-8-5-6-11-21(17)18)12-13-23(22)29-24(25)15-28-26(20)27(30)31-4-2/h5-15,29H,3-4,16H2,1-2H3
InChIKeyOFGIZFXJRFHYNA-UHFFFAOYSA-N
MW424.50 g/mol
LogP6.19
Rot. Bonds6

About ethyl 4-ethyl-6-(naphthalen-1-ylmethoxy)-9H-pyrido[3,4-b]indole-3-carboxylate

ethyl 4-ethyl-6-(naphthalen-1-ylmethoxy)-9H-pyrido[3,4-b]indole-3-carboxylate (PubChem CID 10320152) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is ethyl 4-ethyl-6-(naphthalen-1-ylmethoxy)-9H-pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-6-(naphthalen-1-ylmethoxy)-9H-pyrido[3,4-b]indole-3-carboxylate
PubChem CID10320152
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Nameethyl 4-ethyl-6-(naphthalen-1-ylmethoxy)-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1ncc2[nH]c3ccc(OCc4cccc5ccccc45)cc3c2c1CC
InChIInChI=1S/C27H24N2O3/c1-3-20-25-22-14-19(32-16-18-10-7-9-17-8-5-6-11-21(17)18)12-13-23(22)29-24(25)15-28-26(20)27(30)31-4-2/h5-15,29H,3-4,16H2,1-2H3
InChIKeyOFGIZFXJRFHYNA-UHFFFAOYSA-N
XLogP6.19
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-6-(naphthalen-1-ylmethoxy)-9H-pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of ethyl 4-ethyl-6-(naphthalen-1-ylmethoxy)-9H-pyrido[3,4-b]indole-3-carboxylate (CID 10320152) is ethyl 4-ethyl-6-(naphthalen-1-ylmethoxy)-9H-pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-6-(naphthalen-1-ylmethoxy)-9H-pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for ethyl 4-ethyl-6-(naphthalen-1-ylmethoxy)-9H-pyrido[3,4-b]indole-3-carboxylate is CCOC(=O)c1ncc2[nH]c3ccc(OCc4cccc5ccccc45)cc3c2c1CC.
What is the InChIKey of ethyl 4-ethyl-6-(naphthalen-1-ylmethoxy)-9H-pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is OFGIZFXJRFHYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c1-3-20-25-22-14-19(32-16-18-10-7-9-17-8-5-6-11-21(17)18)12-13-23(22)29-24(25)15-28-26(20)27(30)31-4-2/h5-15,29H,3-4,16H2,1-2H3.
What are the key properties of ethyl 4-ethyl-6-(naphthalen-1-ylmethoxy)-9H-pyrido[3,4-b]indole-3-carboxylate?
ethyl 4-ethyl-6-(naphthalen-1-ylmethoxy)-9H-pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 424.50 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-6-(naphthalen-1-ylmethoxy)-9H-pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 10320152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).