ethyl 4-(methoxymethyl)-9-methyl-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate

C24H24N2O4 — CID 14531173

IUPACethyl 4-(methoxymethyl)-9-methyl-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1ncc2c(c1COC)c1cc(OCc3ccccc3)ccc1n2C
InChIInChI=1S/C24H24N2O4/c1-4-29-24(27)23-19(15-28-3)22-18-12-17(30-14-16-8-6-5-7-9-16)10-11-20(18)26(2)21(22)13-25-23/h5-13H,4,14-15H2,1-3H3
InChIKeySJDAAOZXWNPURD-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.63
Rot. Bonds7

About ethyl 4-(methoxymethyl)-9-methyl-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate

ethyl 4-(methoxymethyl)-9-methyl-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate (PubChem CID 14531173) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is ethyl 4-(methoxymethyl)-9-methyl-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(methoxymethyl)-9-methyl-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate
PubChem CID14531173
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Nameethyl 4-(methoxymethyl)-9-methyl-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1ncc2c(c1COC)c1cc(OCc3ccccc3)ccc1n2C
InChIInChI=1S/C24H24N2O4/c1-4-29-24(27)23-19(15-28-3)22-18-12-17(30-14-16-8-6-5-7-9-16)10-11-20(18)26(2)21(22)13-25-23/h5-13H,4,14-15H2,1-3H3
InChIKeySJDAAOZXWNPURD-UHFFFAOYSA-N
XLogP4.63
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(methoxymethyl)-9-methyl-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of ethyl 4-(methoxymethyl)-9-methyl-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate (CID 14531173) is ethyl 4-(methoxymethyl)-9-methyl-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for ethyl 4-(methoxymethyl)-9-methyl-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for ethyl 4-(methoxymethyl)-9-methyl-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate is CCOC(=O)c1ncc2c(c1COC)c1cc(OCc3ccccc3)ccc1n2C.
What is the InChIKey of ethyl 4-(methoxymethyl)-9-methyl-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate?
The InChIKey is SJDAAOZXWNPURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-4-29-24(27)23-19(15-28-3)22-18-12-17(30-14-16-8-6-5-7-9-16)10-11-20(18)26(2)21(22)13-25-23/h5-13H,4,14-15H2,1-3H3.
What are the key properties of ethyl 4-(methoxymethyl)-9-methyl-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate?
ethyl 4-(methoxymethyl)-9-methyl-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate has a molecular weight of 404.47 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(methoxymethyl)-9-methyl-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 14531173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).