2-(1-benzofuran-2-yl)-3-[cyclopropyl(methyl)amino]quinoxaline-6-carboxylic acid

C21H17N3O3 — CID 50991750

IUPAC2-(1-benzofuran-2-yl)-3-[cyclopropyl(methyl)amino]quinoxaline-6-carboxylic acid
SMILESCN(c1nc2cc(C(=O)O)ccc2nc1-c1cc2ccccc2o1)C1CC1
InChIInChI=1S/C21H17N3O3/c1-24(14-7-8-14)20-19(18-11-12-4-2-3-5-17(12)27-18)22-15-9-6-13(21(25)26)10-16(15)23-20/h2-6,9-11,14H,7-8H2,1H3,(H,25,26)
InChIKeyFHNMMCLPYZSVDZ-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.34
Rot. Bonds4

About 2-(1-benzofuran-2-yl)-3-[cyclopropyl(methyl)amino]quinoxaline-6-carboxylic acid

2-(1-benzofuran-2-yl)-3-[cyclopropyl(methyl)amino]quinoxaline-6-carboxylic acid (PubChem CID 50991750) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-3-[cyclopropyl(methyl)amino]quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-3-[cyclopropyl(methyl)amino]quinoxaline-6-carboxylic acid
PubChem CID50991750
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name2-(1-benzofuran-2-yl)-3-[cyclopropyl(methyl)amino]quinoxaline-6-carboxylic acid
SMILESCN(c1nc2cc(C(=O)O)ccc2nc1-c1cc2ccccc2o1)C1CC1
InChIInChI=1S/C21H17N3O3/c1-24(14-7-8-14)20-19(18-11-12-4-2-3-5-17(12)27-18)22-15-9-6-13(21(25)26)10-16(15)23-20/h2-6,9-11,14H,7-8H2,1H3,(H,25,26)
InChIKeyFHNMMCLPYZSVDZ-UHFFFAOYSA-N
XLogP4.34
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-3-[cyclopropyl(methyl)amino]quinoxaline-6-carboxylic acid?
The IUPAC name of 2-(1-benzofuran-2-yl)-3-[cyclopropyl(methyl)amino]quinoxaline-6-carboxylic acid (CID 50991750) is 2-(1-benzofuran-2-yl)-3-[cyclopropyl(methyl)amino]quinoxaline-6-carboxylic acid.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-3-[cyclopropyl(methyl)amino]quinoxaline-6-carboxylic acid?
The canonical SMILES for 2-(1-benzofuran-2-yl)-3-[cyclopropyl(methyl)amino]quinoxaline-6-carboxylic acid is CN(c1nc2cc(C(=O)O)ccc2nc1-c1cc2ccccc2o1)C1CC1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-3-[cyclopropyl(methyl)amino]quinoxaline-6-carboxylic acid?
The InChIKey is FHNMMCLPYZSVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-24(14-7-8-14)20-19(18-11-12-4-2-3-5-17(12)27-18)22-15-9-6-13(21(25)26)10-16(15)23-20/h2-6,9-11,14H,7-8H2,1H3,(H,25,26).
What are the key properties of 2-(1-benzofuran-2-yl)-3-[cyclopropyl(methyl)amino]quinoxaline-6-carboxylic acid?
2-(1-benzofuran-2-yl)-3-[cyclopropyl(methyl)amino]quinoxaline-6-carboxylic acid has a molecular weight of 359.39 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-3-[cyclopropyl(methyl)amino]quinoxaline-6-carboxylic acid is sourced from PubChem (CID 50991750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).