ethyl 9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylate

C20H18N2O3 — CID 10246273

IUPACethyl 9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylate
SMILESCCOC(=O)c1nccc2c(C)c3c(cc12)c1cc(O)ccc1n3C
InChIInChI=1S/C20H18N2O3/c1-4-25-20(24)18-15-10-16-14-9-12(23)5-6-17(14)22(3)19(16)11(2)13(15)7-8-21-18/h5-10,23H,4H2,1-3H3
InChIKeyUUCZWCYFBWQUPA-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.07
Rot. Bonds2

About ethyl 9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylate

ethyl 9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylate (PubChem CID 10246273) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is ethyl 9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylate
PubChem CID10246273
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Nameethyl 9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylate
SMILESCCOC(=O)c1nccc2c(C)c3c(cc12)c1cc(O)ccc1n3C
InChIInChI=1S/C20H18N2O3/c1-4-25-20(24)18-15-10-16-14-9-12(23)5-6-17(14)22(3)19(16)11(2)13(15)7-8-21-18/h5-10,23H,4H2,1-3H3
InChIKeyUUCZWCYFBWQUPA-UHFFFAOYSA-N
XLogP4.07
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylate?
The IUPAC name of ethyl 9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylate (CID 10246273) is ethyl 9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylate.
What is the SMILES notation for ethyl 9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylate?
The canonical SMILES for ethyl 9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylate is CCOC(=O)c1nccc2c(C)c3c(cc12)c1cc(O)ccc1n3C.
What is the InChIKey of ethyl 9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylate?
The InChIKey is UUCZWCYFBWQUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-4-25-20(24)18-15-10-16-14-9-12(23)5-6-17(14)22(3)19(16)11(2)13(15)7-8-21-18/h5-10,23H,4H2,1-3H3.
What are the key properties of ethyl 9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylate?
ethyl 9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylate has a molecular weight of 334.38 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylate is sourced from PubChem (CID 10246273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).