2-(1-ethylindazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid

C22H23N5O2 — CID 70664763

IUPAC2-(1-ethylindazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid
SMILESCCn1ncc2cc(-c3nc4ccc(C(=O)O)cc4nc3N(C)C(C)C)ccc21
InChIInChI=1S/C22H23N5O2/c1-5-27-19-9-7-14(10-16(19)12-23-27)20-21(26(4)13(2)3)25-18-11-15(22(28)29)6-8-17(18)24-20/h6-13H,5H2,1-4H3,(H,28,29)
InChIKeyKHNRLWXEMUFQHA-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.21
Rot. Bonds5

About 2-(1-ethylindazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid

2-(1-ethylindazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid (PubChem CID 70664763) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-(1-ethylindazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2-(1-ethylindazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid
PubChem CID70664763
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-(1-ethylindazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid
SMILESCCn1ncc2cc(-c3nc4ccc(C(=O)O)cc4nc3N(C)C(C)C)ccc21
InChIInChI=1S/C22H23N5O2/c1-5-27-19-9-7-14(10-16(19)12-23-27)20-21(26(4)13(2)3)25-18-11-15(22(28)29)6-8-17(18)24-20/h6-13H,5H2,1-4H3,(H,28,29)
InChIKeyKHNRLWXEMUFQHA-UHFFFAOYSA-N
XLogP4.21
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1-ethylindazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-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

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylindazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid?
The IUPAC name of 2-(1-ethylindazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid (CID 70664763) is 2-(1-ethylindazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid.
What is the SMILES notation for 2-(1-ethylindazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid?
The canonical SMILES for 2-(1-ethylindazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid is CCn1ncc2cc(-c3nc4ccc(C(=O)O)cc4nc3N(C)C(C)C)ccc21.
What is the InChIKey of 2-(1-ethylindazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid?
The InChIKey is KHNRLWXEMUFQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-5-27-19-9-7-14(10-16(19)12-23-27)20-21(26(4)13(2)3)25-18-11-15(22(28)29)6-8-17(18)24-20/h6-13H,5H2,1-4H3,(H,28,29).
What are the key properties of 2-(1-ethylindazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid?
2-(1-ethylindazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid has a molecular weight of 389.46 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylindazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid is sourced from PubChem (CID 70664763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).