2-phenyl-3-piperazin-1-ylquinoxaline-6-carboxylic acid

C19H18N4O2 — CID 50991943

IUPAC2-phenyl-3-piperazin-1-ylquinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)c(N3CCNCC3)nc2c1
InChIInChI=1S/C19H18N4O2/c24-19(25)14-6-7-15-16(12-14)22-18(23-10-8-20-9-11-23)17(21-15)13-4-2-1-3-5-13/h1-7,12,20H,8-11H2,(H,24,25)
InChIKeyOYRQAUBBVFRQJI-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.40
Rot. Bonds3

About 2-phenyl-3-piperazin-1-ylquinoxaline-6-carboxylic acid

2-phenyl-3-piperazin-1-ylquinoxaline-6-carboxylic acid (PubChem CID 50991943) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-phenyl-3-piperazin-1-ylquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2-phenyl-3-piperazin-1-ylquinoxaline-6-carboxylic acid
PubChem CID50991943
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-phenyl-3-piperazin-1-ylquinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)c(N3CCNCC3)nc2c1
InChIInChI=1S/C19H18N4O2/c24-19(25)14-6-7-15-16(12-14)22-18(23-10-8-20-9-11-23)17(21-15)13-4-2-1-3-5-13/h1-7,12,20H,8-11H2,(H,24,25)
InChIKeyOYRQAUBBVFRQJI-UHFFFAOYSA-N
XLogP2.40
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-piperazin-1-ylquinoxaline-6-carboxylic acid?
The IUPAC name of 2-phenyl-3-piperazin-1-ylquinoxaline-6-carboxylic acid (CID 50991943) is 2-phenyl-3-piperazin-1-ylquinoxaline-6-carboxylic acid.
What is the SMILES notation for 2-phenyl-3-piperazin-1-ylquinoxaline-6-carboxylic acid?
The canonical SMILES for 2-phenyl-3-piperazin-1-ylquinoxaline-6-carboxylic acid is O=C(O)c1ccc2nc(-c3ccccc3)c(N3CCNCC3)nc2c1.
What is the InChIKey of 2-phenyl-3-piperazin-1-ylquinoxaline-6-carboxylic acid?
The InChIKey is OYRQAUBBVFRQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-19(25)14-6-7-15-16(12-14)22-18(23-10-8-20-9-11-23)17(21-15)13-4-2-1-3-5-13/h1-7,12,20H,8-11H2,(H,24,25).
What are the key properties of 2-phenyl-3-piperazin-1-ylquinoxaline-6-carboxylic acid?
2-phenyl-3-piperazin-1-ylquinoxaline-6-carboxylic acid has a molecular weight of 334.38 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-piperazin-1-ylquinoxaline-6-carboxylic acid is sourced from PubChem (CID 50991943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).