3-indol-1-yl-2-phenylquinoxaline-6-carboxylic acid

C23H15N3O2 — CID 50991212

IUPAC3-indol-1-yl-2-phenylquinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)c(-n3ccc4ccccc43)nc2c1
InChIInChI=1S/C23H15N3O2/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/h1-14H,(H,27,28)
InChIKeyOIRPGAZNLOQRDX-UHFFFAOYSA-N
MW365.39 g/mol
LogP4.94
Rot. Bonds3

About 3-indol-1-yl-2-phenylquinoxaline-6-carboxylic acid

3-indol-1-yl-2-phenylquinoxaline-6-carboxylic acid (PubChem CID 50991212) has the molecular formula C23H15N3O2 and a molecular weight of 365.39 g/mol. Its IUPAC name is 3-indol-1-yl-2-phenylquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name3-indol-1-yl-2-phenylquinoxaline-6-carboxylic acid
PubChem CID50991212
Molecular FormulaC23H15N3O2
Molecular Weight365.39 g/mol
Exact Mass365.12
IUPAC Name3-indol-1-yl-2-phenylquinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)c(-n3ccc4ccccc43)nc2c1
InChIInChI=1S/C23H15N3O2/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/h1-14H,(H,27,28)
InChIKeyOIRPGAZNLOQRDX-UHFFFAOYSA-N
XLogP4.94
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-Methyl-1H-benzimidazole-5-carboxylic acid
CID 4913063
Pomisartan
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1-Cyclohexylbenzodiazole-5-carboxylic acid
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1-Phenyl-1H-benzoimidazole-5-carboxylic acid
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2-[5-[(2-Ethyl-4-methyl-6-pyridin-2-ylbenzimidazol-1-yl)methyl]indol-1-yl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-indol-1-yl-2-phenylquinoxaline-6-carboxylic acid?
The IUPAC name of 3-indol-1-yl-2-phenylquinoxaline-6-carboxylic acid (CID 50991212) is 3-indol-1-yl-2-phenylquinoxaline-6-carboxylic acid.
What is the SMILES notation for 3-indol-1-yl-2-phenylquinoxaline-6-carboxylic acid?
The canonical SMILES for 3-indol-1-yl-2-phenylquinoxaline-6-carboxylic acid is O=C(O)c1ccc2nc(-c3ccccc3)c(-n3ccc4ccccc43)nc2c1.
What is the InChIKey of 3-indol-1-yl-2-phenylquinoxaline-6-carboxylic acid?
The InChIKey is OIRPGAZNLOQRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O2/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/h1-14H,(H,27,28).
What are the key properties of 3-indol-1-yl-2-phenylquinoxaline-6-carboxylic acid?
3-indol-1-yl-2-phenylquinoxaline-6-carboxylic acid has a molecular weight of 365.39 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-yl-2-phenylquinoxaline-6-carboxylic acid is sourced from PubChem (CID 50991212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).