ethyl 3-(2,4-dimethoxyphenyl)-1,9-dimethyl-2-oxopyrido[2,3-b]indole-6-carboxylate

C24H24N2O5 — CID 68697200

IUPACethyl 3-(2,4-dimethoxyphenyl)-1,9-dimethyl-2-oxopyrido[2,3-b]indole-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)c1cc(-c3ccc(OC)cc3OC)c(=O)n(C)c1n2C
InChIInChI=1S/C24H24N2O5/c1-6-31-24(28)14-7-10-20-17(11-14)18-13-19(23(27)26(3)22(18)25(20)2)16-9-8-15(29-4)12-21(16)30-5/h7-13H,6H2,1-5H3
InChIKeyBKMZHRNINDITAW-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.89
Rot. Bonds5

About ethyl 3-(2,4-dimethoxyphenyl)-1,9-dimethyl-2-oxopyrido[2,3-b]indole-6-carboxylate

ethyl 3-(2,4-dimethoxyphenyl)-1,9-dimethyl-2-oxopyrido[2,3-b]indole-6-carboxylate (PubChem CID 68697200) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is ethyl 3-(2,4-dimethoxyphenyl)-1,9-dimethyl-2-oxopyrido[2,3-b]indole-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2,4-dimethoxyphenyl)-1,9-dimethyl-2-oxopyrido[2,3-b]indole-6-carboxylate
PubChem CID68697200
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Nameethyl 3-(2,4-dimethoxyphenyl)-1,9-dimethyl-2-oxopyrido[2,3-b]indole-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)c1cc(-c3ccc(OC)cc3OC)c(=O)n(C)c1n2C
InChIInChI=1S/C24H24N2O5/c1-6-31-24(28)14-7-10-20-17(11-14)18-13-19(23(27)26(3)22(18)25(20)2)16-9-8-15(29-4)12-21(16)30-5/h7-13H,6H2,1-5H3
InChIKeyBKMZHRNINDITAW-UHFFFAOYSA-N
XLogP3.89
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 3-(2,4-dimethoxyphenyl)-1,9-dimethyl-2-oxopyrido[2,3-b]indole-6-carboxylate with MolForge

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Related Compounds

3-[4-[[bis[(4-methoxyphenyl)methyl]amino]methyl]phenyl]-1,9-dimethyl-2-oxopyrido[2,3-b]indole-6-carboxylic acid
CID 69181041
[[3-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-9H-pyrido[2,3-b]indole-6-carbonyl]amino]carbamic acid
CID 68699461
6-acetyl-3-(2,4-dichlorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one
CID 66997309
ethyl 4-(3-cyano-5-methoxyindol-1-yl)benzoate
CID 145493874
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethyl 4-[(1R,2S,6R,7S,8R,12R)-5-(2,4-dimethoxyphenyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-en-10-yl]benzoate
CID 124771331
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 3-[3-(4-bromophenyl)-1,9-dimethyl-2-oxopyrido[2,3-b]indol-6-yl]-1-methylpyrazole-5-carboxylate
CID 66997378
ethyl 1-methyl-2-oxoquinoline-7-carboxylate
CID 121231685
ethyl 3-(2,4-dimethoxyphenyl)-7-(4-methoxybenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 4180564
2-(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
CID 117262736
4-(2,4-dimethoxyphenyl)-3-methylbenzoic acid
CID 53227204

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,4-dimethoxyphenyl)-1,9-dimethyl-2-oxopyrido[2,3-b]indole-6-carboxylate?
The IUPAC name of ethyl 3-(2,4-dimethoxyphenyl)-1,9-dimethyl-2-oxopyrido[2,3-b]indole-6-carboxylate (CID 68697200) is ethyl 3-(2,4-dimethoxyphenyl)-1,9-dimethyl-2-oxopyrido[2,3-b]indole-6-carboxylate.
What is the SMILES notation for ethyl 3-(2,4-dimethoxyphenyl)-1,9-dimethyl-2-oxopyrido[2,3-b]indole-6-carboxylate?
The canonical SMILES for ethyl 3-(2,4-dimethoxyphenyl)-1,9-dimethyl-2-oxopyrido[2,3-b]indole-6-carboxylate is CCOC(=O)c1ccc2c(c1)c1cc(-c3ccc(OC)cc3OC)c(=O)n(C)c1n2C.
What is the InChIKey of ethyl 3-(2,4-dimethoxyphenyl)-1,9-dimethyl-2-oxopyrido[2,3-b]indole-6-carboxylate?
The InChIKey is BKMZHRNINDITAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-6-31-24(28)14-7-10-20-17(11-14)18-13-19(23(27)26(3)22(18)25(20)2)16-9-8-15(29-4)12-21(16)30-5/h7-13H,6H2,1-5H3.
What are the key properties of ethyl 3-(2,4-dimethoxyphenyl)-1,9-dimethyl-2-oxopyrido[2,3-b]indole-6-carboxylate?
ethyl 3-(2,4-dimethoxyphenyl)-1,9-dimethyl-2-oxopyrido[2,3-b]indole-6-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,4-dimethoxyphenyl)-1,9-dimethyl-2-oxopyrido[2,3-b]indole-6-carboxylate is sourced from PubChem (CID 68697200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).