7-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylic acid

C13H14N2O3 — CID 175059402

IUPAC7-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylic acid
SMILESCOc1ccc2c3c([nH]c2c1)CCN(C(=O)O)C3
InChIInChI=1S/C13H14N2O3/c1-18-8-2-3-9-10-7-15(13(16)17)5-4-11(10)14-12(9)6-8/h2-3,6,14H,4-5,7H2,1H3,(H,16,17)
InChIKeyGSZMYOLBZAJUKG-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.21
Rot. Bonds1

About 7-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylic acid

7-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylic acid (PubChem CID 175059402) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 7-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylic acid
PubChem CID175059402
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name7-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylic acid
SMILESCOc1ccc2c3c([nH]c2c1)CCN(C(=O)O)C3
InChIInChI=1S/C13H14N2O3/c1-18-8-2-3-9-10-7-15(13(16)17)5-4-11(10)14-12(9)6-8/h2-3,6,14H,4-5,7H2,1H3,(H,16,17)
InChIKeyGSZMYOLBZAJUKG-UHFFFAOYSA-N
XLogP2.21
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(4-fluorophenyl)-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 4909744
8-methoxy-N-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
CID 113089350
(4,6-dimethoxy-1H-indol-2-yl)-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 46970719
1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-4-phenylbutan-1-one
CID 42506667
2-(4-methoxyphenoxy)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propan-1-one
CID 46603187
(3,4-dimethoxyphenyl)-(7-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 113089557
(7-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2,6-dimethoxyphenyl)methanone
CID 113089802
2-(2-bromophenyl)-1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 113089347
methyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
CID 23883966
(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 157058361
1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(3-methylphenyl)ethanone
CID 113089341
1-(3-methoxyphenyl)-4-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyrrolidin-2-one
CID 42946859

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylic acid?
The IUPAC name of 7-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylic acid (CID 175059402) is 7-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylic acid.
What is the SMILES notation for 7-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylic acid?
The canonical SMILES for 7-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylic acid is COc1ccc2c3c([nH]c2c1)CCN(C(=O)O)C3.
What is the InChIKey of 7-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylic acid?
The InChIKey is GSZMYOLBZAJUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-18-8-2-3-9-10-7-15(13(16)17)5-4-11(10)14-12(9)6-8/h2-3,6,14H,4-5,7H2,1H3,(H,16,17).
What are the key properties of 7-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylic acid?
7-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylic acid is sourced from PubChem (CID 175059402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).