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

C21H21N5O2 — CID 70665276

IUPAC2-(1-methylindazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid
SMILESCC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc2c(cnn2C)c1
InChIInChI=1S/C21H21N5O2/c1-12(2)25(3)20-19(13-6-8-18-15(9-13)11-22-26(18)4)23-16-7-5-14(21(27)28)10-17(16)24-20/h5-12H,1-4H3,(H,27,28)
InChIKeyBSLPFJZUSHEYDR-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.73
Rot. Bonds4

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

2-(1-methylindazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid (PubChem CID 70665276) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(1-methylindazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylindazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid
PubChem CID70665276
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name2-(1-methylindazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid
SMILESCC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc2c(cnn2C)c1
InChIInChI=1S/C21H21N5O2/c1-12(2)25(3)20-19(13-6-8-18-15(9-13)11-22-26(18)4)23-16-7-5-14(21(27)28)10-17(16)24-20/h5-12H,1-4H3,(H,27,28)
InChIKeyBSLPFJZUSHEYDR-UHFFFAOYSA-N
XLogP3.73
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid?
The IUPAC name of 2-(1-methylindazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid (CID 70665276) is 2-(1-methylindazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid.
What is the SMILES notation for 2-(1-methylindazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid?
The canonical SMILES for 2-(1-methylindazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid is CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc2c(cnn2C)c1.
What is the InChIKey of 2-(1-methylindazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid?
The InChIKey is BSLPFJZUSHEYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-12(2)25(3)20-19(13-6-8-18-15(9-13)11-22-26(18)4)23-16-7-5-14(21(27)28)10-17(16)24-20/h5-12H,1-4H3,(H,27,28).
What are the key properties of 2-(1-methylindazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid?
2-(1-methylindazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid has a molecular weight of 375.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid is sourced from PubChem (CID 70665276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).