ethyl 4-(methoxymethyl)-6-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate

C23H22N2O4 — CID 177138870

IUPACethyl 4-(methoxymethyl)-6-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1ncc2[nH]c3ccc(-c4cccc(OC)c4)cc3c2c1COC
InChIInChI=1S/C23H22N2O4/c1-4-29-23(26)22-18(13-27-2)21-17-11-15(14-6-5-7-16(10-14)28-3)8-9-19(17)25-20(21)12-24-22/h5-12,25H,4,13H2,1-3H3
InChIKeyQFTIQOGWXWGHHU-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.71
Rot. Bonds6

About ethyl 4-(methoxymethyl)-6-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate

ethyl 4-(methoxymethyl)-6-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate (PubChem CID 177138870) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is ethyl 4-(methoxymethyl)-6-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(methoxymethyl)-6-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate
PubChem CID177138870
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Nameethyl 4-(methoxymethyl)-6-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1ncc2[nH]c3ccc(-c4cccc(OC)c4)cc3c2c1COC
InChIInChI=1S/C23H22N2O4/c1-4-29-23(26)22-18(13-27-2)21-17-11-15(14-6-5-7-16(10-14)28-3)8-9-19(17)25-20(21)12-24-22/h5-12,25H,4,13H2,1-3H3
InChIKeyQFTIQOGWXWGHHU-UHFFFAOYSA-N
XLogP4.71
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(methoxymethyl)-6-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate with MolForge

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Related Compounds

ethyl 6-(4-fluorophenyl)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 177138867
ethyl 4-(methoxymethyl)-6-[(4-nitrophenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13392802
ethyl 6-methoxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13133996
ethyl 6-[2-(dimethylamino)ethoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate;molecular hydrogen
CID 177138880
ethyl 6-[bis(prop-2-enyl)carbamoyl]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 54510265
4-(methoxymethyl)-6-phenoxy-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 23039420
4-(methoxymethyl)-6-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 177138853
ethyl 4-ethyl-6-iodo-9H-pyrido[3,4-b]indole-3-carboxylate
CID 54406749
ethyl 5-[(4-fluorophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13392780
ethyl 5-cyclobutyloxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 14456193
ethyl 6-hydroxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13134017
ethyl 4-phenyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 12795664

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(methoxymethyl)-6-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of ethyl 4-(methoxymethyl)-6-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate (CID 177138870) is ethyl 4-(methoxymethyl)-6-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for ethyl 4-(methoxymethyl)-6-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for ethyl 4-(methoxymethyl)-6-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate is CCOC(=O)c1ncc2[nH]c3ccc(-c4cccc(OC)c4)cc3c2c1COC.
What is the InChIKey of ethyl 4-(methoxymethyl)-6-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is QFTIQOGWXWGHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-4-29-23(26)22-18(13-27-2)21-17-11-15(14-6-5-7-16(10-14)28-3)8-9-19(17)25-20(21)12-24-22/h5-12,25H,4,13H2,1-3H3.
What are the key properties of ethyl 4-(methoxymethyl)-6-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate?
ethyl 4-(methoxymethyl)-6-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 390.44 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(methoxymethyl)-6-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 177138870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).