3-[benzyl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid

C24H19N5O2 — CID 70665272

IUPAC3-[benzyl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid
SMILESCN(Cc1ccccc1)c1nc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C24H19N5O2/c1-29(14-15-5-3-2-4-6-15)23-22(16-7-9-19-18(11-16)13-25-28-19)26-20-10-8-17(24(30)31)12-21(20)27-23/h2-13H,14H2,1H3,(H,25,28)(H,30,31)
InChIKeyXGUYTFZQPPQDRB-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.51
Rot. Bonds5

About 3-[benzyl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid

3-[benzyl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid (PubChem CID 70665272) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid
PubChem CID70665272
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC Name3-[benzyl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid
SMILESCN(Cc1ccccc1)c1nc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C24H19N5O2/c1-29(14-15-5-3-2-4-6-15)23-22(16-7-9-19-18(11-16)13-25-28-19)26-20-10-8-17(24(30)31)12-21(20)27-23/h2-13H,14H2,1H3,(H,25,28)(H,30,31)
InChIKeyXGUYTFZQPPQDRB-UHFFFAOYSA-N
XLogP4.51
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid?
The IUPAC name of 3-[benzyl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid (CID 70665272) is 3-[benzyl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid.
What is the SMILES notation for 3-[benzyl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid?
The canonical SMILES for 3-[benzyl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid is CN(Cc1ccccc1)c1nc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ncc2c1.
What is the InChIKey of 3-[benzyl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid?
The InChIKey is XGUYTFZQPPQDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c1-29(14-15-5-3-2-4-6-15)23-22(16-7-9-19-18(11-16)13-25-28-19)26-20-10-8-17(24(30)31)12-21(20)27-23/h2-13H,14H2,1H3,(H,25,28)(H,30,31).
What are the key properties of 3-[benzyl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid?
3-[benzyl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid has a molecular weight of 409.45 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid is sourced from PubChem (CID 70665272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).