potassium 2-hydroxy-8-methyl-11H-benzo[a]carbazole-3-carboxylate

C18H12KNO3 — CID 139681652

IUPACpotassium 2-hydroxy-8-methyl-11H-benzo[a]carbazole-3-carboxylate
SMILESCc1ccc2[nH]c3c4cc(O)c(C(=O)[O-])cc4ccc3c2c1.[K+]
InChIInChI=1S/C18H13NO3.K/c1-9-2-5-15-13(6-9)11-4-3-10-7-14(18(21)22)16(20)8-12(10)17(11)19-15;/h2-8,19-20H,1H3,(H,21,22);/q;+1/p-1
InChIKeyBWIZLMBFHVNNQK-UHFFFAOYSA-M
MW329.40 g/mol
LogP-0.14
Rot. Bonds1

About potassium 2-hydroxy-8-methyl-11H-benzo[a]carbazole-3-carboxylate

potassium 2-hydroxy-8-methyl-11H-benzo[a]carbazole-3-carboxylate (PubChem CID 139681652) has the molecular formula C18H12KNO3 and a molecular weight of 329.40 g/mol. Its IUPAC name is potassium 2-hydroxy-8-methyl-11H-benzo[a]carbazole-3-carboxylate.

Molecular Properties

Compound Namepotassium 2-hydroxy-8-methyl-11H-benzo[a]carbazole-3-carboxylate
PubChem CID139681652
Molecular FormulaC18H12KNO3
Molecular Weight329.40 g/mol
Exact Mass329.05
IUPAC Namepotassium 2-hydroxy-8-methyl-11H-benzo[a]carbazole-3-carboxylate
SMILESCc1ccc2[nH]c3c4cc(O)c(C(=O)[O-])cc4ccc3c2c1.[K+]
InChIInChI=1S/C18H13NO3.K/c1-9-2-5-15-13(6-9)11-4-3-10-7-14(18(21)22)16(20)8-12(10)17(11)19-15;/h2-8,19-20H,1H3,(H,21,22);/q;+1/p-1
InChIKeyBWIZLMBFHVNNQK-UHFFFAOYSA-M
XLogP-0.14
TPSA76.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze potassium 2-hydroxy-8-methyl-11H-benzo[a]carbazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium 2-hydroxy-8-methoxy-11H-benzo[a]carbazole-3-carboxylate
CID 23722869
ethane;2-hydroxy-11H-benzo[a]carbazole-3-carboxylic acid
CID 91394685
2-hydroxy-N-(3-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide
CID 14008608
potassium 2-hydroxy-5-methylbenzoate
CID 67847974
phenyl 2-hydroxy-11H-benzo[a]carbazole-3-carboxylate
CID 19933809
ethyl 7-methyl-1,10-dihydropyrrolo[2,3-a]carbazole-2-carboxylate
CID 11358301
3,6-dimethyl-9H-carbazole
CID 144942624
2-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-11H-benzo[a]carbazole-3-carboxamide
CID 137495996
cadmium(2+);bis(6-methylnaphthalene-1-carboxylate)
CID 22604879
2,8-dimethyl-5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione
CID 24764365
6-methyl-9H-carbazol-2-ol
CID 91665228
dipotassium;4-methylphthalate
CID 140576906

Frequently Asked Questions

What is the IUPAC name of potassium 2-hydroxy-8-methyl-11H-benzo[a]carbazole-3-carboxylate?
The IUPAC name of potassium 2-hydroxy-8-methyl-11H-benzo[a]carbazole-3-carboxylate (CID 139681652) is potassium 2-hydroxy-8-methyl-11H-benzo[a]carbazole-3-carboxylate.
What is the SMILES notation for potassium 2-hydroxy-8-methyl-11H-benzo[a]carbazole-3-carboxylate?
The canonical SMILES for potassium 2-hydroxy-8-methyl-11H-benzo[a]carbazole-3-carboxylate is Cc1ccc2[nH]c3c4cc(O)c(C(=O)[O-])cc4ccc3c2c1.[K+].
What is the InChIKey of potassium 2-hydroxy-8-methyl-11H-benzo[a]carbazole-3-carboxylate?
The InChIKey is BWIZLMBFHVNNQK-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H13NO3.K/c1-9-2-5-15-13(6-9)11-4-3-10-7-14(18(21)22)16(20)8-12(10)17(11)19-15;/h2-8,19-20H,1H3,(H,21,22);/q;+1/p-1.
What are the key properties of potassium 2-hydroxy-8-methyl-11H-benzo[a]carbazole-3-carboxylate?
potassium 2-hydroxy-8-methyl-11H-benzo[a]carbazole-3-carboxylate has a molecular weight of 329.40 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-hydroxy-8-methyl-11H-benzo[a]carbazole-3-carboxylate is sourced from PubChem (CID 139681652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).