methyl 2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate chloride

C19H17ClN2O2 — CID 134151997

IUPACmethyl 2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate chloride
SMILESCOC(=O)c1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccccc12.[Cl-]
InChIInChI=1S/C19H16N2O2.ClH/c1-11-14-10-21(2)9-8-12(14)17(19(22)23-3)18-16(11)13-6-4-5-7-15(13)20-18;/h4-10H,1-3H3;1H
InChIKeyURDUSZVJMGYRIC-UHFFFAOYSA-N
MW340.81 g/mol
LogP0.40
Rot. Bonds1

About methyl 2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate chloride

methyl 2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate chloride (PubChem CID 134151997) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is methyl 2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate chloride.

Molecular Properties

Compound Namemethyl 2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate chloride
PubChem CID134151997
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Namemethyl 2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate chloride
SMILESCOC(=O)c1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccccc12.[Cl-]
InChIInChI=1S/C19H16N2O2.ClH/c1-11-14-10-21(2)9-8-12(14)17(19(22)23-3)18-16(11)13-6-4-5-7-15(13)20-18;/h4-10H,1-3H3;1H
InChIKeyURDUSZVJMGYRIC-UHFFFAOYSA-N
XLogP0.40
TPSA45.97 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 50.40
H-Bond Donors ≤ 51
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 methyl 2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate chloride?
The IUPAC name of methyl 2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate chloride (CID 134151997) is methyl 2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate chloride.
What is the SMILES notation for methyl 2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate chloride?
The canonical SMILES for methyl 2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate chloride is COC(=O)c1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccccc12.[Cl-].
What is the InChIKey of methyl 2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate chloride?
The InChIKey is URDUSZVJMGYRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2.ClH/c1-11-14-10-21(2)9-8-12(14)17(19(22)23-3)18-16(11)13-6-4-5-7-15(13)20-18;/h4-10H,1-3H3;1H.
What are the key properties of methyl 2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate chloride?
methyl 2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate chloride has a molecular weight of 340.81 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate chloride is sourced from PubChem (CID 134151997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).