ethyl 6-(hydroxymethyl)-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate

C22H18N2O3 — CID 15418257

IUPACethyl 6-(hydroxymethyl)-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate
SMILESCCOC(=O)c1c2[nH]c3ccccc3c2c(CO)c2[nH]c3ccccc3c12
InChIInChI=1S/C22H18N2O3/c1-2-27-22(26)19-18-13-8-4-6-10-16(13)23-20(18)14(11-25)17-12-7-3-5-9-15(12)24-21(17)19/h3-10,23-25H,2,11H2,1H3
InChIKeyBVKXKOAMUUTRJV-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.62
Rot. Bonds3

About ethyl 6-(hydroxymethyl)-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate

ethyl 6-(hydroxymethyl)-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate (PubChem CID 15418257) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is ethyl 6-(hydroxymethyl)-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate.

Molecular Properties

Compound Nameethyl 6-(hydroxymethyl)-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate
PubChem CID15418257
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Nameethyl 6-(hydroxymethyl)-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate
SMILESCCOC(=O)c1c2[nH]c3ccccc3c2c(CO)c2[nH]c3ccccc3c12
InChIInChI=1S/C22H18N2O3/c1-2-27-22(26)19-18-13-8-4-6-10-16(13)23-20(18)14(11-25)17-12-7-3-5-9-15(12)24-21(17)19/h3-10,23-25H,2,11H2,1H3
InChIKeyBVKXKOAMUUTRJV-UHFFFAOYSA-N
XLogP4.62
TPSA78.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze ethyl 6-(hydroxymethyl)-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 7-tert-butyl-9H-carbazole-3-carboxylate
CID 46244082
(2S)-2-tert-butoxy-2-[1,4-dimethyl-3-(p-tolyl)-9H-carbazol-2-yl]acetic acid
CID 118583807
8-carbamoyl-6-(2-fluoro-4-methylphenyl)-9H-carbazole-3-carboxylic acid
CID 66605358
Methyl 5-[(E)-1,2-diphenylethenyl]-9H-carbazole-3-carboxylate
CID 11618315
6H-2-N-hydroxymethyl-5-ethoxycarbonyl-pyrrolo-[3,4-c]carbazole-1,3-dione
CID 24813540
methyl 3-[N-[2-[(dimethylamino)methyl]-1H-indol-5-yl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-6-carboxylate
CID 145955409
2-(1-Hydroxypentyl)-6-methyl-3-(2-phenylethyl)-1H-Indole-5-carboxylic acid
CID 11530695
ethyl 6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazole-4-carboxylate
CID 12361841
US10266491, Example 16
CID 130362302
7-tert-butyl-9H-carbazole-3-carboxylic acid
CID 46855215
methyl 2-(hydroxymethyl)-3-phenyl-1H-indole-5-carboxylate
CID 24793993
9-hydroxy-4-phenyl-1H-furo[3,4-c]carbazole-1,3-(6H)-dione
CID 11844481

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(hydroxymethyl)-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate?
The IUPAC name of ethyl 6-(hydroxymethyl)-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate (CID 15418257) is ethyl 6-(hydroxymethyl)-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate.
What is the SMILES notation for ethyl 6-(hydroxymethyl)-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate?
The canonical SMILES for ethyl 6-(hydroxymethyl)-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate is CCOC(=O)c1c2[nH]c3ccccc3c2c(CO)c2[nH]c3ccccc3c12.
What is the InChIKey of ethyl 6-(hydroxymethyl)-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate?
The InChIKey is BVKXKOAMUUTRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-2-27-22(26)19-18-13-8-4-6-10-16(13)23-20(18)14(11-25)17-12-7-3-5-9-15(12)24-21(17)19/h3-10,23-25H,2,11H2,1H3.
What are the key properties of ethyl 6-(hydroxymethyl)-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate?
ethyl 6-(hydroxymethyl)-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate has a molecular weight of 358.40 g/mol, XLogP of 4.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(hydroxymethyl)-5,11-dihydroindolo[3,2-b]carbazole-12-carboxylate is sourced from PubChem (CID 15418257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).