2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium-9-olate;hydrochloride

C19H19ClN2O — CID 171375764

IUPAC2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium-9-olate;hydrochloride
SMILESCc1c2c[n+](C)ccc2c(C)c2c1c1cc([O-])ccc1n2C.Cl
InChIInChI=1S/C19H18N2O.ClH/c1-11-16-10-20(3)8-7-14(16)12(2)19-18(11)15-9-13(22)5-6-17(15)21(19)4;/h5-10H,1-4H3;1H
InChIKeyNWGCFJXDJRSBNA-UHFFFAOYSA-N
MW326.83 g/mol
LogP3.42
Rot. Bonds

About 2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium-9-olate;hydrochloride

2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium-9-olate;hydrochloride (PubChem CID 171375764) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium-9-olate;hydrochloride.

Molecular Properties

Compound Name2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium-9-olate;hydrochloride
PubChem CID171375764
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium-9-olate;hydrochloride
SMILESCc1c2c[n+](C)ccc2c(C)c2c1c1cc([O-])ccc1n2C.Cl
InChIInChI=1S/C19H18N2O.ClH/c1-11-16-10-20(3)8-7-14(16)12(2)19-18(11)15-9-13(22)5-6-17(15)21(19)4;/h5-10H,1-4H3;1H
InChIKeyNWGCFJXDJRSBNA-UHFFFAOYSA-N
XLogP3.42
TPSA31.87 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium-9-olate;hydrochloride?
The IUPAC name of 2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium-9-olate;hydrochloride (CID 171375764) is 2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium-9-olate;hydrochloride.
What is the SMILES notation for 2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium-9-olate;hydrochloride?
The canonical SMILES for 2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium-9-olate;hydrochloride is Cc1c2c[n+](C)ccc2c(C)c2c1c1cc([O-])ccc1n2C.Cl.
What is the InChIKey of 2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium-9-olate;hydrochloride?
The InChIKey is NWGCFJXDJRSBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O.ClH/c1-11-16-10-20(3)8-7-14(16)12(2)19-18(11)15-9-13(22)5-6-17(15)21(19)4;/h5-10H,1-4H3;1H.
What are the key properties of 2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium-9-olate;hydrochloride?
2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium-9-olate;hydrochloride has a molecular weight of 326.83 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium-9-olate;hydrochloride is sourced from PubChem (CID 171375764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).