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

C24H24N2O3 — CID 14531174

IUPACethyl 4-ethyl-9-methyl-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1ncc2c(c1CC)c1cc(OCc3ccccc3)ccc1n2C
InChIInChI=1S/C24H24N2O3/c1-4-18-22-19-13-17(29-15-16-9-7-6-8-10-16)11-12-20(19)26(3)21(22)14-25-23(18)24(27)28-5-2/h6-14H,4-5,15H2,1-3H3
InChIKeyDWZVESKCZRNVQX-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.04
Rot. Bonds6

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

ethyl 4-ethyl-9-methyl-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate (PubChem CID 14531174) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is ethyl 4-ethyl-9-methyl-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-9-methyl-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate
PubChem CID14531174
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Nameethyl 4-ethyl-9-methyl-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1ncc2c(c1CC)c1cc(OCc3ccccc3)ccc1n2C
InChIInChI=1S/C24H24N2O3/c1-4-18-22-19-13-17(29-15-16-9-7-6-8-10-16)11-12-20(19)26(3)21(22)14-25-23(18)24(27)28-5-2/h6-14H,4-5,15H2,1-3H3
InChIKeyDWZVESKCZRNVQX-UHFFFAOYSA-N
XLogP5.04
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-ethyl-9-methyl-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate with MolForge

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Related Compounds

ethyl 4-(methoxymethyl)-9-methyl-6-(naphthalen-1-ylmethoxy)pyrido[3,4-b]indole-3-carboxylate
CID 11797989
ethyl (E)-3-(1-methyl-5-phenylmethoxyindol-3-yl)prop-2-enoate
CID 11450484
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
ethyl 5-[(1-benzyl-5-iodotriazol-4-yl)methoxy]-1,2-dimethylindole-3-carboxylate
CID 134853353
ethyl 5-phenylmethoxypyridine-2-carboxylate
CID 66626531
1,3-dimethyl-5-phenylmethoxyindole
CID 23383486
benzyl 2-methyl-5-phenylmethoxyindazole-3-carboxylate
CID 170357733
methyl 3-acetamido-1-methyl-5-phenylmethoxyindole-2-carboxylate
CID 4777725
1-(1-acetyl-5-phenylmethoxyindazol-3-yl)propan-2-one
CID 22241639
ethyl 5-phenylmethoxypyridazine-3-carboxylate
CID 137332806
ethyl 2-methoxy-4-phenylmethoxybenzoate
CID 162133718
ethyl 3-iodo-5-phenylmethoxy-1H-indole-2-carboxylate
CID 25147379

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-9-methyl-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of ethyl 4-ethyl-9-methyl-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate (CID 14531174) is ethyl 4-ethyl-9-methyl-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-9-methyl-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for ethyl 4-ethyl-9-methyl-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate is CCOC(=O)c1ncc2c(c1CC)c1cc(OCc3ccccc3)ccc1n2C.
What is the InChIKey of ethyl 4-ethyl-9-methyl-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate?
The InChIKey is DWZVESKCZRNVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-4-18-22-19-13-17(29-15-16-9-7-6-8-10-16)11-12-20(19)26(3)21(22)14-25-23(18)24(27)28-5-2/h6-14H,4-5,15H2,1-3H3.
What are the key properties of ethyl 4-ethyl-9-methyl-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate?
ethyl 4-ethyl-9-methyl-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate has a molecular weight of 388.47 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-9-methyl-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 14531174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).