5,11-dimethyl-1-propoxy-6H-pyrido[4,3-b]carbazole

C20H20N2O — CID 174341454

IUPAC5,11-dimethyl-1-propoxy-6H-pyrido[4,3-b]carbazole
SMILESCCCOc1nccc2c(C)c3[nH]c4ccccc4c3c(C)c12
InChIInChI=1S/C20H20N2O/c1-4-11-23-20-18-13(3)17-15-7-5-6-8-16(15)22-19(17)12(2)14(18)9-10-21-20/h5-10,22H,4,11H2,1-3H3
InChIKeyWFRDWYLFMABPIO-UHFFFAOYSA-N
MW304.39 g/mol
LogP5.27
Rot. Bonds3

About 5,11-dimethyl-1-propoxy-6H-pyrido[4,3-b]carbazole

5,11-dimethyl-1-propoxy-6H-pyrido[4,3-b]carbazole (PubChem CID 174341454) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 5,11-dimethyl-1-propoxy-6H-pyrido[4,3-b]carbazole.

Molecular Properties

Compound Name5,11-dimethyl-1-propoxy-6H-pyrido[4,3-b]carbazole
PubChem CID174341454
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name5,11-dimethyl-1-propoxy-6H-pyrido[4,3-b]carbazole
SMILESCCCOc1nccc2c(C)c3[nH]c4ccccc4c3c(C)c12
InChIInChI=1S/C20H20N2O/c1-4-11-23-20-18-13(3)17-15-7-5-6-8-16(15)22-19(17)12(2)14(18)9-10-21-20/h5-10,22H,4,11H2,1-3H3
InChIKeyWFRDWYLFMABPIO-UHFFFAOYSA-N
XLogP5.27
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.39
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,11-dimethyl-1-propoxy-6H-pyrido[4,3-b]carbazole?
The IUPAC name of 5,11-dimethyl-1-propoxy-6H-pyrido[4,3-b]carbazole (CID 174341454) is 5,11-dimethyl-1-propoxy-6H-pyrido[4,3-b]carbazole.
What is the SMILES notation for 5,11-dimethyl-1-propoxy-6H-pyrido[4,3-b]carbazole?
The canonical SMILES for 5,11-dimethyl-1-propoxy-6H-pyrido[4,3-b]carbazole is CCCOc1nccc2c(C)c3[nH]c4ccccc4c3c(C)c12.
What is the InChIKey of 5,11-dimethyl-1-propoxy-6H-pyrido[4,3-b]carbazole?
The InChIKey is WFRDWYLFMABPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-4-11-23-20-18-13(3)17-15-7-5-6-8-16(15)22-19(17)12(2)14(18)9-10-21-20/h5-10,22H,4,11H2,1-3H3.
What are the key properties of 5,11-dimethyl-1-propoxy-6H-pyrido[4,3-b]carbazole?
5,11-dimethyl-1-propoxy-6H-pyrido[4,3-b]carbazole has a molecular weight of 304.39 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dimethyl-1-propoxy-6H-pyrido[4,3-b]carbazole is sourced from PubChem (CID 174341454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).