6-[2-(dimethylamino)ethoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid

C16H17N3O3 — CID 82220385

IUPAC6-[2-(dimethylamino)ethoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid
SMILESCN(C)CCOc1ccc2[nH]c3cnc(C(=O)O)cc3c2c1
InChIInChI=1S/C16H17N3O3/c1-19(2)5-6-22-10-3-4-13-11(7-10)12-8-14(16(20)21)17-9-15(12)18-13/h3-4,7-9,18H,5-6H2,1-2H3,(H,20,21)
InChIKeyLIJNPBYQCCCXAB-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.35
Rot. Bonds5

About 6-[2-(dimethylamino)ethoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid

6-[2-(dimethylamino)ethoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid (PubChem CID 82220385) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid
PubChem CID82220385
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name6-[2-(dimethylamino)ethoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid
SMILESCN(C)CCOc1ccc2[nH]c3cnc(C(=O)O)cc3c2c1
InChIInChI=1S/C16H17N3O3/c1-19(2)5-6-22-10-3-4-13-11(7-10)12-8-14(16(20)21)17-9-15(12)18-13/h3-4,7-9,18H,5-6H2,1-2H3,(H,20,21)
InChIKeyLIJNPBYQCCCXAB-UHFFFAOYSA-N
XLogP2.35
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-hydroxyethoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 82220379
2,7-bis[2-(dimethylamino)ethoxy]-10H-acridin-9-one
CID 57439652
ethyl 6-[2-(dimethylamino)ethoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate;molecular hydrogen
CID 177138880
5-[2-(dimethylamino)ethoxy]-1,3-dihydrobenzimidazole-2-thione
CID 121006527
3,8-bis[2-(dimethylamino)ethoxy]-5H-phenanthridin-6-one
CID 57439762
N,N-dimethyl-2-[(3-methyl-1H-indol-6-yl)oxy]ethanamine
CID 144980968
butyl 6-amino-9H-pyrido[3,4-b]indole-3-carboxylate
CID 10401564
2-[(11-chloro-10H-indolo[3,2-b]quinolin-7-yl)oxy]-N,N-dimethylethanamine
CID 163574292
5-[2-(dimethylamino)ethoxy]pyridine-3-carboxylic acid
CID 4738593
2,7-bis[2-(dipropylamino)ethoxy]-10H-acridin-9-one
CID 57439654
propyl 6-fluoro-9H-pyrido[3,4-b]indole-3-carboxylate
CID 10333417
2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine
CID 82075858

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The IUPAC name of 6-[2-(dimethylamino)ethoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid (CID 82220385) is 6-[2-(dimethylamino)ethoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid.
What is the SMILES notation for 6-[2-(dimethylamino)ethoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The canonical SMILES for 6-[2-(dimethylamino)ethoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid is CN(C)CCOc1ccc2[nH]c3cnc(C(=O)O)cc3c2c1.
What is the InChIKey of 6-[2-(dimethylamino)ethoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The InChIKey is LIJNPBYQCCCXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-19(2)5-6-22-10-3-4-13-11(7-10)12-8-14(16(20)21)17-9-15(12)18-13/h3-4,7-9,18H,5-6H2,1-2H3,(H,20,21).
What are the key properties of 6-[2-(dimethylamino)ethoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid?
6-[2-(dimethylamino)ethoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid is sourced from PubChem (CID 82220385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).