ethyl 4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indole-3-carboxylate

C23H23N3O3 — CID 86744180

IUPACethyl 4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indole-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(c1N)c1ccccc1n2Cc1ccc(OC)cc1
InChIInChI=1S/C23H23N3O3/c1-4-29-23(27)19-14(2)25-22-20(21(19)24)17-7-5-6-8-18(17)26(22)13-15-9-11-16(28-3)12-10-15/h5-12H,4,13H2,1-3H3,(H2,24,25)
InChIKeyOMNCJCJIEMWQRZ-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.31
Rot. Bonds5

About ethyl 4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indole-3-carboxylate

ethyl 4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indole-3-carboxylate (PubChem CID 86744180) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is ethyl 4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indole-3-carboxylate
PubChem CID86744180
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Nameethyl 4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indole-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(c1N)c1ccccc1n2Cc1ccc(OC)cc1
InChIInChI=1S/C23H23N3O3/c1-4-29-23(27)19-14(2)25-22-20(21(19)24)17-7-5-6-8-18(17)26(22)13-15-9-11-16(28-3)12-10-15/h5-12H,4,13H2,1-3H3,(H2,24,25)
InChIKeyOMNCJCJIEMWQRZ-UHFFFAOYSA-N
XLogP4.31
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indole-3-carboxylate with MolForge

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Related Compounds

[4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indol-3-yl] methyl carbonate
CID 23200342
ethyl 4-amino-1-benzyl-2,3,6-trimethylpyrrolo[2,3-b]pyridine-5-carboxylate
CID 13012187
ethyl 4-amino-2,3,6-trimethyl-1-(2-phenylethyl)pyrrolo[2,3-b]pyridine-5-carboxylate
CID 13012188
ethyl 1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,5-naphthyridine-3-carboxylate
CID 143011204
4-amino-2,9-dimethylpyrido[2,3-b]indole-3-carboxylic acid
CID 15154321
ethyl 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylate
CID 54711837
ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate
CID 1206883
ethyl 1-[(4-methoxyphenyl)methyl]-3-(3-naphthalen-1-yloxyprop-1-ynyl)indole-2-carboxylate
CID 67317486
ethyl 1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane
CID 159752022
ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate
CID 3022167
ethyl 1-benzyl-2-tri(propan-2-yl)silyloxyindole-3-carboxylate
CID 10049503
diethyl 2-(5-benzyl-4-oxopyrano[3,2-b]indol-3-yl)-4,6-dimethylpyridine-3,5-dicarboxylate
CID 10369532

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indole-3-carboxylate?
The IUPAC name of ethyl 4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indole-3-carboxylate (CID 86744180) is ethyl 4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indole-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indole-3-carboxylate?
The canonical SMILES for ethyl 4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indole-3-carboxylate is CCOC(=O)c1c(C)nc2c(c1N)c1ccccc1n2Cc1ccc(OC)cc1.
What is the InChIKey of ethyl 4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indole-3-carboxylate?
The InChIKey is OMNCJCJIEMWQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-4-29-23(27)19-14(2)25-22-20(21(19)24)17-7-5-6-8-18(17)26(22)13-15-9-11-16(28-3)12-10-15/h5-12H,4,13H2,1-3H3,(H2,24,25).
What are the key properties of ethyl 4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indole-3-carboxylate?
ethyl 4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indole-3-carboxylate has a molecular weight of 389.46 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indole-3-carboxylate is sourced from PubChem (CID 86744180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).