5-ethyl-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol

C19H19N2O+ — CID 71341368

IUPAC5-ethyl-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol
SMILESCCc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccc(O)cc12
InChIInChI=1S/C19H18N2O/c1-4-13-14-7-8-21(3)10-16(14)11(2)18-15-9-12(22)5-6-17(15)20-19(13)18/h5-10,22H,4H2,1-3H3/p+1
InChIKeyQFTSWAODUKLQBO-UHFFFAOYSA-O
MW291.37 g/mol
LogP3.88
Rot. Bonds1

About 5-ethyl-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol

5-ethyl-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol (PubChem CID 71341368) has the molecular formula C19H19N2O+ and a molecular weight of 291.37 g/mol. Its IUPAC name is 5-ethyl-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol.

Molecular Properties

Compound Name5-ethyl-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol
PubChem CID71341368
Molecular FormulaC19H19N2O+
Molecular Weight291.37 g/mol
Exact Mass291.15
IUPAC Name5-ethyl-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol
SMILESCCc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccc(O)cc12
InChIInChI=1S/C19H18N2O/c1-4-13-14-7-8-21(3)10-16(14)11(2)18-15-9-12(22)5-6-17(15)20-19(13)18/h5-10,22H,4H2,1-3H3/p+1
InChIKeyQFTSWAODUKLQBO-UHFFFAOYSA-O
XLogP3.88
TPSA39.90 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol?
The IUPAC name of 5-ethyl-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol (CID 71341368) is 5-ethyl-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol.
What is the SMILES notation for 5-ethyl-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol?
The canonical SMILES for 5-ethyl-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol is CCc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccc(O)cc12.
What is the InChIKey of 5-ethyl-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol?
The InChIKey is QFTSWAODUKLQBO-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H18N2O/c1-4-13-14-7-8-21(3)10-16(14)11(2)18-15-9-12(22)5-6-17(15)20-19(13)18/h5-10,22H,4H2,1-3H3/p+1.
What are the key properties of 5-ethyl-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol?
5-ethyl-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol has a molecular weight of 291.37 g/mol, XLogP of 3.88, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol is sourced from PubChem (CID 71341368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).