ethyl 6-(5,11-dioxo-6H-pyrido[4,3-b]carbazol-9-yl)pyridine-2-carboxylate

C23H15N3O4 — CID 155200894

IUPACethyl 6-(5,11-dioxo-6H-pyrido[4,3-b]carbazol-9-yl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(-c2ccc3[nH]c4c(c3c2)C(=O)c2cnccc2C4=O)n1
InChIInChI=1S/C23H15N3O4/c1-2-30-23(29)18-5-3-4-16(25-18)12-6-7-17-14(10-12)19-20(26-17)22(28)13-8-9-24-11-15(13)21(19)27/h3-11,26H,2H2,1H3
InChIKeyYERQKXNJCNCYKT-UHFFFAOYSA-N
MW397.39 g/mol
LogP3.58
Rot. Bonds3

About ethyl 6-(5,11-dioxo-6H-pyrido[4,3-b]carbazol-9-yl)pyridine-2-carboxylate

ethyl 6-(5,11-dioxo-6H-pyrido[4,3-b]carbazol-9-yl)pyridine-2-carboxylate (PubChem CID 155200894) has the molecular formula C23H15N3O4 and a molecular weight of 397.39 g/mol. Its IUPAC name is ethyl 6-(5,11-dioxo-6H-pyrido[4,3-b]carbazol-9-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(5,11-dioxo-6H-pyrido[4,3-b]carbazol-9-yl)pyridine-2-carboxylate
PubChem CID155200894
Molecular FormulaC23H15N3O4
Molecular Weight397.39 g/mol
Exact Mass397.11
IUPAC Nameethyl 6-(5,11-dioxo-6H-pyrido[4,3-b]carbazol-9-yl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(-c2ccc3[nH]c4c(c3c2)C(=O)c2cnccc2C4=O)n1
InChIInChI=1S/C23H15N3O4/c1-2-30-23(29)18-5-3-4-16(25-18)12-6-7-17-14(10-12)19-20(26-17)22(28)13-8-9-24-11-15(13)21(19)27/h3-11,26H,2H2,1H3
InChIKeyYERQKXNJCNCYKT-UHFFFAOYSA-N
XLogP3.58
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(5,11-dioxo-6H-pyrido[4,3-b]carbazol-9-yl)pyridine-2-carboxylate?
The IUPAC name of ethyl 6-(5,11-dioxo-6H-pyrido[4,3-b]carbazol-9-yl)pyridine-2-carboxylate (CID 155200894) is ethyl 6-(5,11-dioxo-6H-pyrido[4,3-b]carbazol-9-yl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(5,11-dioxo-6H-pyrido[4,3-b]carbazol-9-yl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(5,11-dioxo-6H-pyrido[4,3-b]carbazol-9-yl)pyridine-2-carboxylate is CCOC(=O)c1cccc(-c2ccc3[nH]c4c(c3c2)C(=O)c2cnccc2C4=O)n1.
What is the InChIKey of ethyl 6-(5,11-dioxo-6H-pyrido[4,3-b]carbazol-9-yl)pyridine-2-carboxylate?
The InChIKey is YERQKXNJCNCYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O4/c1-2-30-23(29)18-5-3-4-16(25-18)12-6-7-17-14(10-12)19-20(26-17)22(28)13-8-9-24-11-15(13)21(19)27/h3-11,26H,2H2,1H3.
What are the key properties of ethyl 6-(5,11-dioxo-6H-pyrido[4,3-b]carbazol-9-yl)pyridine-2-carboxylate?
ethyl 6-(5,11-dioxo-6H-pyrido[4,3-b]carbazol-9-yl)pyridine-2-carboxylate has a molecular weight of 397.39 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(5,11-dioxo-6H-pyrido[4,3-b]carbazol-9-yl)pyridine-2-carboxylate is sourced from PubChem (CID 155200894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).