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

C20H18N2O2 — CID 156597374

IUPACmethyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate
SMILESCOC(=O)c1ccc2c(c1)c1c(C)c3cnccc3c(C)c1n2C
InChIInChI=1S/C20H18N2O2/c1-11-16-10-21-8-7-14(16)12(2)19-18(11)15-9-13(20(23)24-4)5-6-17(15)22(19)3/h5-10H,1-4H3
InChIKeyQABNHIUOPCPVOU-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.28
Rot. Bonds1

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

methyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate (PubChem CID 156597374) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is methyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate.

Molecular Properties

Compound Namemethyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate
PubChem CID156597374
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Namemethyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate
SMILESCOC(=O)c1ccc2c(c1)c1c(C)c3cnccc3c(C)c1n2C
InChIInChI=1S/C20H18N2O2/c1-11-16-10-21-8-7-14(16)12(2)19-18(11)15-9-13(20(23)24-4)5-6-17(15)22(19)3/h5-10H,1-4H3
InChIKeyQABNHIUOPCPVOU-UHFFFAOYSA-N
XLogP4.28
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate?
The IUPAC name of methyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate (CID 156597374) is methyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate.
What is the SMILES notation for methyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate?
The canonical SMILES for methyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate is COC(=O)c1ccc2c(c1)c1c(C)c3cnccc3c(C)c1n2C.
What is the InChIKey of methyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate?
The InChIKey is QABNHIUOPCPVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-11-16-10-21-8-7-14(16)12(2)19-18(11)15-9-13(20(23)24-4)5-6-17(15)22(19)3/h5-10H,1-4H3.
What are the key properties of methyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate?
methyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate has a molecular weight of 318.38 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate is sourced from PubChem (CID 156597374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).