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

C14H12N2O4 — CID 82220379

IUPAC6-(2-hydroxyethoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid
SMILESO=C(O)c1cc2c(cn1)[nH]c1ccc(OCCO)cc12
InChIInChI=1S/C14H12N2O4/c17-3-4-20-8-1-2-11-9(5-8)10-6-12(14(18)19)15-7-13(10)16-11/h1-2,5-7,16-17H,3-4H2,(H,18,19)
InChIKeyRUOYPRISBCABFI-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.79
Rot. Bonds4

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

6-(2-hydroxyethoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid (PubChem CID 82220379) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 6-(2-hydroxyethoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-hydroxyethoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid
PubChem CID82220379
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name6-(2-hydroxyethoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid
SMILESO=C(O)c1cc2c(cn1)[nH]c1ccc(OCCO)cc12
InChIInChI=1S/C14H12N2O4/c17-3-4-20-8-1-2-11-9(5-8)10-6-12(14(18)19)15-7-13(10)16-11/h1-2,5-7,16-17H,3-4H2,(H,18,19)
InChIKeyRUOYPRISBCABFI-UHFFFAOYSA-N
XLogP1.79
TPSA95.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

6-[2-(dimethylamino)ethoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 82220385
N-tert-butyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxamide
CID 11833410
butyl 6-amino-9H-pyrido[3,4-b]indole-3-carboxylate
CID 10401564
propyl 6-fluoro-9H-pyrido[3,4-b]indole-3-carboxylate
CID 10333417
6-[(6-fluoro-1-hydroxycyclohexa-2,4-dien-1-yl)methyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 21288060
benzyl 9H-pyrido[3,4-b]indole-3-carboxylate
CID 12957539
methyl 6-fluoro-9H-pyrido[3,4-b]indole-3-carboxylate
CID 6918825
2-amino-4-(2-hydroxyethoxy)benzoic acid
CID 104501008
1-(9H-pyrido[3,4-b]indol-3-yl)butan-1-one
CID 4713438
3-butoxycarbonyl-9H-pyrido[3,4-b]indole-6-diazonium tetrafluoroborate
CID 10091268
10-oxo-5H-benzo[b][1,6]naphthyridine-3-carboxylic acid
CID 20811575
2,2,2-trifluoroethyl 9H-pyrido[3,4-b]indole-3-carboxylate
CID 52942145

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The IUPAC name of 6-(2-hydroxyethoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid (CID 82220379) is 6-(2-hydroxyethoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid.
What is the SMILES notation for 6-(2-hydroxyethoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The canonical SMILES for 6-(2-hydroxyethoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid is O=C(O)c1cc2c(cn1)[nH]c1ccc(OCCO)cc12.
What is the InChIKey of 6-(2-hydroxyethoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The InChIKey is RUOYPRISBCABFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-3-4-20-8-1-2-11-9(5-8)10-6-12(14(18)19)15-7-13(10)16-11/h1-2,5-7,16-17H,3-4H2,(H,18,19).
What are the key properties of 6-(2-hydroxyethoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
6-(2-hydroxyethoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid is sourced from PubChem (CID 82220379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).