ethyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate

C21H20N2O2 — CID 156597825

IUPACethyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)c1c(C)c3cnccc3c(C)c1n2C
InChIInChI=1S/C21H20N2O2/c1-5-25-21(24)14-6-7-18-16(10-14)19-12(2)17-11-22-9-8-15(17)13(3)20(19)23(18)4/h6-11H,5H2,1-4H3
InChIKeyMGNHVAFOJUCCIQ-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.67
Rot. Bonds2

About ethyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate

ethyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate (PubChem CID 156597825) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate.

Molecular Properties

Compound Nameethyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate
PubChem CID156597825
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Nameethyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)c1c(C)c3cnccc3c(C)c1n2C
InChIInChI=1S/C21H20N2O2/c1-5-25-21(24)14-6-7-18-16(10-14)19-12(2)17-11-22-9-8-15(17)13(3)20(19)23(18)4/h6-11H,5H2,1-4H3
InChIKeyMGNHVAFOJUCCIQ-UHFFFAOYSA-N
XLogP4.67
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-bromo-5,6,11-trimethylpyrido[4,3-b]carbazole
CID 56673067
ethyl 5-[4-(trifluoromethyl)phenyl]pyrido[4,3-b]indole-8-carboxylate
CID 162680864
N-(2-hydroxyethyl)-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
CID 162755179
ethyl 9-methyl-2,4-dipyrrolidin-1-ylpyrimido[4,5-b]indole-6-carboxylate
CID 10644296
N-[(2S)-1-methoxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
CID 162755054
N-[(2S)-2-(dimethylamino)propyl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
CID 162754842
ethyl 8-hydroxyisoquinoline-6-carboxylate
CID 137117771
methyl 5-methylpyrido[4,3-b]indole-7-carboxylate
CID 116986202
ethyl 3-methyl-2-propylbenzimidazole-5-carboxylate
CID 18681035
5,11-dimethyl-6-prop-2-enylpyrido[4,3-b]carbazol-9-ol
CID 70508743
ethyl 1-methyl-2-oxoquinoline-7-carboxylate
CID 121231685
ethyl 3-(5,8-dimethylisoquinolin-6-yl)-4-(pyrrolidin-1-yldiazenyl)benzoate
CID 23584165

Frequently Asked Questions

What is the IUPAC name of ethyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate?
The IUPAC name of ethyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate (CID 156597825) is ethyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate.
What is the SMILES notation for ethyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate?
The canonical SMILES for ethyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate is CCOC(=O)c1ccc2c(c1)c1c(C)c3cnccc3c(C)c1n2C.
What is the InChIKey of ethyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate?
The InChIKey is MGNHVAFOJUCCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-5-25-21(24)14-6-7-18-16(10-14)19-12(2)17-11-22-9-8-15(17)13(3)20(19)23(18)4/h6-11H,5H2,1-4H3.
What are the key properties of ethyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate?
ethyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate is sourced from PubChem (CID 156597825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).