3-(2,3-dihydroindol-1-yl)-2-phenylquinoxaline-6-carboxylic acid

C23H17N3O2 — CID 67041668

IUPAC3-(2,3-dihydroindol-1-yl)-2-phenylquinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)c(N3CCc4ccccc43)nc2c1
InChIInChI=1S/C23H17N3O2/c27-23(28)17-10-11-18-19(14-17)25-22(21(24-18)16-7-2-1-3-8-16)26-13-12-15-6-4-5-9-20(15)26/h1-11,14H,12-13H2,(H,27,28)
InChIKeyZPCBICMHXHXJKV-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.69
Rot. Bonds3

About 3-(2,3-dihydroindol-1-yl)-2-phenylquinoxaline-6-carboxylic acid

3-(2,3-dihydroindol-1-yl)-2-phenylquinoxaline-6-carboxylic acid (PubChem CID 67041668) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-2-phenylquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-2-phenylquinoxaline-6-carboxylic acid
PubChem CID67041668
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC Name3-(2,3-dihydroindol-1-yl)-2-phenylquinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)c(N3CCc4ccccc43)nc2c1
InChIInChI=1S/C23H17N3O2/c27-23(28)17-10-11-18-19(14-17)25-22(21(24-18)16-7-2-1-3-8-16)26-13-12-15-6-4-5-9-20(15)26/h1-11,14H,12-13H2,(H,27,28)
InChIKeyZPCBICMHXHXJKV-UHFFFAOYSA-N
XLogP4.69
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-2-phenylquinoxaline-6-carboxylic acid?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-2-phenylquinoxaline-6-carboxylic acid (CID 67041668) is 3-(2,3-dihydroindol-1-yl)-2-phenylquinoxaline-6-carboxylic acid.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-2-phenylquinoxaline-6-carboxylic acid?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-2-phenylquinoxaline-6-carboxylic acid is O=C(O)c1ccc2nc(-c3ccccc3)c(N3CCc4ccccc43)nc2c1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-2-phenylquinoxaline-6-carboxylic acid?
The InChIKey is ZPCBICMHXHXJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2/c27-23(28)17-10-11-18-19(14-17)25-22(21(24-18)16-7-2-1-3-8-16)26-13-12-15-6-4-5-9-20(15)26/h1-11,14H,12-13H2,(H,27,28).
What are the key properties of 3-(2,3-dihydroindol-1-yl)-2-phenylquinoxaline-6-carboxylic acid?
3-(2,3-dihydroindol-1-yl)-2-phenylquinoxaline-6-carboxylic acid has a molecular weight of 367.41 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-2-phenylquinoxaline-6-carboxylic acid is sourced from PubChem (CID 67041668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).