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

C18H12KNO4 — CID 23722869

IUPACpotassium 2-hydroxy-8-methoxy-11H-benzo[a]carbazole-3-carboxylate
SMILESCOc1ccc2[nH]c3c4cc(O)c(C(=O)[O-])cc4ccc3c2c1.[K+]
InChIInChI=1S/C18H13NO4.K/c1-23-10-3-5-15-13(7-10)11-4-2-9-6-14(18(21)22)16(20)8-12(9)17(11)19-15;/h2-8,19-20H,1H3,(H,21,22);/q;+1/p-1
InChIKeyKMCHJVNPORLYNJ-UHFFFAOYSA-M
MW345.40 g/mol
LogP-0.44
Rot. Bonds2

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

potassium 2-hydroxy-8-methoxy-11H-benzo[a]carbazole-3-carboxylate (PubChem CID 23722869) has the molecular formula C18H12KNO4 and a molecular weight of 345.40 g/mol. Its IUPAC name is potassium 2-hydroxy-8-methoxy-11H-benzo[a]carbazole-3-carboxylate.

Molecular Properties

Compound Namepotassium 2-hydroxy-8-methoxy-11H-benzo[a]carbazole-3-carboxylate
PubChem CID23722869
Molecular FormulaC18H12KNO4
Molecular Weight345.40 g/mol
Exact Mass345.04
IUPAC Namepotassium 2-hydroxy-8-methoxy-11H-benzo[a]carbazole-3-carboxylate
SMILESCOc1ccc2[nH]c3c4cc(O)c(C(=O)[O-])cc4ccc3c2c1.[K+]
InChIInChI=1S/C18H13NO4.K/c1-23-10-3-5-15-13(7-10)11-4-2-9-6-14(18(21)22)16(20)8-12(9)17(11)19-15;/h2-8,19-20H,1H3,(H,21,22);/q;+1/p-1
InChIKeyKMCHJVNPORLYNJ-UHFFFAOYSA-M
XLogP-0.44
TPSA85.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

potassium 2-hydroxy-8-methyl-11H-benzo[a]carbazole-3-carboxylate
CID 139681652
7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 24774105
ethane;2-hydroxy-11H-benzo[a]carbazole-3-carboxylic acid
CID 91394685
phenyl 2-hydroxy-11H-benzo[a]carbazole-3-carboxylate
CID 19933809
2-(2-hydroxy-11H-benzo[a]carbazol-3-yl)-N-(4-methoxyphenyl)acetamide
CID 139771930
5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 6919949
3-chloro-8-methoxy-11,12-dihydroindolo[2,3-a]carbazole
CID 10758096
6-methoxy-9H-carbazol-3-ol
CID 142959347
6-methoxy-3-methyl-9H-carbazol-2-ol
CID 10353687
7-methoxy-1,2-dimethyl-9H-carbazol-3-ol
CID 15182253
N-[2-(6-methoxy-1-methyl-9H-carbazol-2-yl)ethyl]-2-oxobutanamide
CID 18982851
N-[2-(6-methoxy-1-methyl-9H-carbazol-2-yl)ethyl]-N-methylacetamide
CID 3022622

Frequently Asked Questions

What is the IUPAC name of potassium 2-hydroxy-8-methoxy-11H-benzo[a]carbazole-3-carboxylate?
The IUPAC name of potassium 2-hydroxy-8-methoxy-11H-benzo[a]carbazole-3-carboxylate (CID 23722869) is potassium 2-hydroxy-8-methoxy-11H-benzo[a]carbazole-3-carboxylate.
What is the SMILES notation for potassium 2-hydroxy-8-methoxy-11H-benzo[a]carbazole-3-carboxylate?
The canonical SMILES for potassium 2-hydroxy-8-methoxy-11H-benzo[a]carbazole-3-carboxylate is COc1ccc2[nH]c3c4cc(O)c(C(=O)[O-])cc4ccc3c2c1.[K+].
What is the InChIKey of potassium 2-hydroxy-8-methoxy-11H-benzo[a]carbazole-3-carboxylate?
The InChIKey is KMCHJVNPORLYNJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H13NO4.K/c1-23-10-3-5-15-13(7-10)11-4-2-9-6-14(18(21)22)16(20)8-12(9)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-methoxy-11H-benzo[a]carbazole-3-carboxylate?
potassium 2-hydroxy-8-methoxy-11H-benzo[a]carbazole-3-carboxylate has a molecular weight of 345.40 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-hydroxy-8-methoxy-11H-benzo[a]carbazole-3-carboxylate is sourced from PubChem (CID 23722869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).