sodium 1,9-dimethylpyrido[3,4-b]indole-3-carboxylate

C14H11N2NaO2 — CID 23663807

IUPACsodium 1,9-dimethylpyrido[3,4-b]indole-3-carboxylate
SMILESCc1nc(C(=O)[O-])cc2c3ccccc3n(C)c12.[Na+]
InChIInChI=1S/C14H12N2O2.Na/c1-8-13-10(7-11(15-8)14(17)18)9-5-3-4-6-12(9)16(13)2;/h3-7H,1-2H3,(H,17,18);/q;+1/p-1
InChIKeyRZUVFVWOKKVNIL-UHFFFAOYSA-M
MW262.24 g/mol
LogP-1.60
Rot. Bonds1

About sodium 1,9-dimethylpyrido[3,4-b]indole-3-carboxylate

sodium 1,9-dimethylpyrido[3,4-b]indole-3-carboxylate (PubChem CID 23663807) has the molecular formula C14H11N2NaO2 and a molecular weight of 262.24 g/mol. Its IUPAC name is sodium 1,9-dimethylpyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Namesodium 1,9-dimethylpyrido[3,4-b]indole-3-carboxylate
PubChem CID23663807
Molecular FormulaC14H11N2NaO2
Molecular Weight262.24 g/mol
Exact Mass262.07
IUPAC Namesodium 1,9-dimethylpyrido[3,4-b]indole-3-carboxylate
SMILESCc1nc(C(=O)[O-])cc2c3ccccc3n(C)c12.[Na+]
InChIInChI=1S/C14H12N2O2.Na/c1-8-13-10(7-11(15-8)14(17)18)9-5-3-4-6-12(9)16(13)2;/h3-7H,1-2H3,(H,17,18);/q;+1/p-1
InChIKeyRZUVFVWOKKVNIL-UHFFFAOYSA-M
XLogP-1.60
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 5-1.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze sodium 1,9-dimethylpyrido[3,4-b]indole-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

1,9-dimethyl-3-nitropyrido[3,4-b]indole
CID 135060305
1,9-dimethylpyrido[3,4-b]indol-3-amine
CID 115027398
1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indole-3-carboxylic acid
CID 172797690
ethyl 1-methoxy-9-methylpyrido[3,4-b]indole-3-carboxylate
CID 13147294
methyl 1-formyl-9-methylpyrido[3,4-b]indole-3-carboxylate
CID 11737244
5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid
CID 22025405
methyl 9-methyl-1-phenylpyrido[3,4-b]indole-3-carboxylate
CID 11267059
5,11-dimethylbenzo[a]carbazole
CID 58410472
ethyl 9-(methoxymethyl)-1-methylpyrido[3,4-b]indole-3-carboxylate
CID 11001006
ethyl 9-methyl-1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indole-3-carboxylate
CID 25266085
1,9-dimethyl-3-[2-(1-methylquinolin-1-ium-4-yl)ethenyl]pyrido[3,4-b]indole
CID 175065484
5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylic acid
CID 162755099

Frequently Asked Questions

What is the IUPAC name of sodium 1,9-dimethylpyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of sodium 1,9-dimethylpyrido[3,4-b]indole-3-carboxylate (CID 23663807) is sodium 1,9-dimethylpyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for sodium 1,9-dimethylpyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for sodium 1,9-dimethylpyrido[3,4-b]indole-3-carboxylate is Cc1nc(C(=O)[O-])cc2c3ccccc3n(C)c12.[Na+].
What is the InChIKey of sodium 1,9-dimethylpyrido[3,4-b]indole-3-carboxylate?
The InChIKey is RZUVFVWOKKVNIL-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12N2O2.Na/c1-8-13-10(7-11(15-8)14(17)18)9-5-3-4-6-12(9)16(13)2;/h3-7H,1-2H3,(H,17,18);/q;+1/p-1.
What are the key properties of sodium 1,9-dimethylpyrido[3,4-b]indole-3-carboxylate?
sodium 1,9-dimethylpyrido[3,4-b]indole-3-carboxylate has a molecular weight of 262.24 g/mol, XLogP of -1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1,9-dimethylpyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 23663807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).