ethyl 5,8-dimethyl-9H-carbazole-3-carboxylate

C17H17NO2 — CID 165353814

IUPACethyl 5,8-dimethyl-9H-carbazole-3-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c3c(C)ccc(C)c3c2c1
InChIInChI=1S/C17H17NO2/c1-4-20-17(19)12-7-8-14-13(9-12)15-10(2)5-6-11(3)16(15)18-14/h5-9,18H,4H2,1-3H3
InChIKeyDKLIFOSZGZWMOZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.11
Rot. Bonds2

About ethyl 5,8-dimethyl-9H-carbazole-3-carboxylate

ethyl 5,8-dimethyl-9H-carbazole-3-carboxylate (PubChem CID 165353814) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is ethyl 5,8-dimethyl-9H-carbazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5,8-dimethyl-9H-carbazole-3-carboxylate
PubChem CID165353814
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Nameethyl 5,8-dimethyl-9H-carbazole-3-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c3c(C)ccc(C)c3c2c1
InChIInChI=1S/C17H17NO2/c1-4-20-17(19)12-7-8-14-13(9-12)15-10(2)5-6-11(3)16(15)18-14/h5-9,18H,4H2,1-3H3
InChIKeyDKLIFOSZGZWMOZ-UHFFFAOYSA-N
XLogP4.11
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethyl 5,8-dimethyl-9H-carbazole-3-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

ethyl 4-methyl-2-oxo-1H-quinoline-6-carboxylate
CID 7453721
diethyl 6-propyl-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
CID 22025388
ethyl 3-bromo-9-oxo-4H-furo[3,2-b]quinoline-7-carboxylate
CID 135017692
2-(5-ethoxycarbonyl-2-methyl-1H-indol-3-yl)acetic acid
CID 21191839
ethyl 3-ethyl-2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 927791
ethyl 2-methyl-3-(sulfanylmethoxy)-1H-indole-5-carboxylate
CID 57004484
ethyl 4-fluorooxy-5H-pyrimido[5,4-b]indole-8-carboxylate
CID 142467597
ethyl 3-propanoyl-1H-indole-5-carboxylate
CID 170857376
diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
CID 123633998
ethyl 4-methyl-9H-carbazole-2-carboxylate
CID 14636527
ethyl 2-(4-hydroxyphenyl)-4-oxo-1H-quinoline-6-carboxylate
CID 155209399
diethyl 5H-pyrimido[5,4-b]indole-2,8-dicarboxylate
CID 54006151

Frequently Asked Questions

What is the IUPAC name of ethyl 5,8-dimethyl-9H-carbazole-3-carboxylate?
The IUPAC name of ethyl 5,8-dimethyl-9H-carbazole-3-carboxylate (CID 165353814) is ethyl 5,8-dimethyl-9H-carbazole-3-carboxylate.
What is the SMILES notation for ethyl 5,8-dimethyl-9H-carbazole-3-carboxylate?
The canonical SMILES for ethyl 5,8-dimethyl-9H-carbazole-3-carboxylate is CCOC(=O)c1ccc2[nH]c3c(C)ccc(C)c3c2c1.
What is the InChIKey of ethyl 5,8-dimethyl-9H-carbazole-3-carboxylate?
The InChIKey is DKLIFOSZGZWMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-4-20-17(19)12-7-8-14-13(9-12)15-10(2)5-6-11(3)16(15)18-14/h5-9,18H,4H2,1-3H3.
What are the key properties of ethyl 5,8-dimethyl-9H-carbazole-3-carboxylate?
ethyl 5,8-dimethyl-9H-carbazole-3-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,8-dimethyl-9H-carbazole-3-carboxylate is sourced from PubChem (CID 165353814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).