4-methoxy-5-methylpyrido[3,2-b]indole-2-carboxylic acid

C14H12N2O3 — CID 10563006

IUPAC4-methoxy-5-methylpyrido[3,2-b]indole-2-carboxylic acid
SMILESCOc1cc(C(=O)O)nc2c3ccccc3n(C)c12
InChIInChI=1S/C14H12N2O3/c1-16-10-6-4-3-5-8(10)12-13(16)11(19-2)7-9(15-12)14(17)18/h3-7H,1-2H3,(H,17,18)
InChIKeyWDOMHWCNCFLFHQ-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.43
Rot. Bonds2

About 4-methoxy-5-methylpyrido[3,2-b]indole-2-carboxylic acid

4-methoxy-5-methylpyrido[3,2-b]indole-2-carboxylic acid (PubChem CID 10563006) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-methoxy-5-methylpyrido[3,2-b]indole-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-5-methylpyrido[3,2-b]indole-2-carboxylic acid
PubChem CID10563006
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name4-methoxy-5-methylpyrido[3,2-b]indole-2-carboxylic acid
SMILESCOc1cc(C(=O)O)nc2c3ccccc3n(C)c12
InChIInChI=1S/C14H12N2O3/c1-16-10-6-4-3-5-8(10)12-13(16)11(19-2)7-9(15-12)14(17)18/h3-7H,1-2H3,(H,17,18)
InChIKeyWDOMHWCNCFLFHQ-UHFFFAOYSA-N
XLogP2.43
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 9-methyl-1-phenylpyrido[3,4-b]indole-3-carboxylate
CID 11267059
4-(2-hydroxyethoxy)-8-methoxyquinoline-2-carboxylic acid
CID 121004218
8-methoxy-4-(methylamino)quinoline-2-carboxylic acid
CID 84626797
5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid
CID 22025405
3-methoxy-1-methylindole-2-carboxylic acid
CID 12619892
1,5-dimethoxyisoquinoline-3-carboxylic acid
CID 57440903
7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid
CID 102941914
ethyl 9-methyl-1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indole-3-carboxylate
CID 25266085
ethyl 1-methoxy-9-methylpyrido[3,4-b]indole-3-carboxylate
CID 13147294
6-methoxy-12-methylbenzo[b][1,10]phenanthrolin-7-one
CID 11077129
methyl 1-formyl-9-methylpyrido[3,4-b]indole-3-carboxylate
CID 11737244
1-(4-methoxyquinolin-2-yl)ethanone
CID 22954601

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methylpyrido[3,2-b]indole-2-carboxylic acid?
The IUPAC name of 4-methoxy-5-methylpyrido[3,2-b]indole-2-carboxylic acid (CID 10563006) is 4-methoxy-5-methylpyrido[3,2-b]indole-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-5-methylpyrido[3,2-b]indole-2-carboxylic acid?
The canonical SMILES for 4-methoxy-5-methylpyrido[3,2-b]indole-2-carboxylic acid is COc1cc(C(=O)O)nc2c3ccccc3n(C)c12.
What is the InChIKey of 4-methoxy-5-methylpyrido[3,2-b]indole-2-carboxylic acid?
The InChIKey is WDOMHWCNCFLFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-16-10-6-4-3-5-8(10)12-13(16)11(19-2)7-9(15-12)14(17)18/h3-7H,1-2H3,(H,17,18).
What are the key properties of 4-methoxy-5-methylpyrido[3,2-b]indole-2-carboxylic acid?
4-methoxy-5-methylpyrido[3,2-b]indole-2-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methylpyrido[3,2-b]indole-2-carboxylic acid is sourced from PubChem (CID 10563006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).