2-phenyl-3-(4-quinolin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid

C28H23N5O2 — CID 50992204

IUPAC2-phenyl-3-(4-quinolin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)c(N3CCN(c4ccc5ccccc5n4)CC3)nc2c1
InChIInChI=1S/C28H23N5O2/c34-28(35)21-10-12-23-24(18-21)31-27(26(30-23)20-7-2-1-3-8-20)33-16-14-32(15-17-33)25-13-11-19-6-4-5-9-22(19)29-25/h1-13,18H,14-17H2,(H,34,35)
InChIKeySGEDGUNHRNELJK-UHFFFAOYSA-N
MW461.53 g/mol
LogP4.87
Rot. Bonds4

About 2-phenyl-3-(4-quinolin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid

2-phenyl-3-(4-quinolin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid (PubChem CID 50992204) has the molecular formula C28H23N5O2 and a molecular weight of 461.53 g/mol. Its IUPAC name is 2-phenyl-3-(4-quinolin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2-phenyl-3-(4-quinolin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid
PubChem CID50992204
Molecular FormulaC28H23N5O2
Molecular Weight461.53 g/mol
Exact Mass461.19
IUPAC Name2-phenyl-3-(4-quinolin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)c(N3CCN(c4ccc5ccccc5n4)CC3)nc2c1
InChIInChI=1S/C28H23N5O2/c34-28(35)21-10-12-23-24(18-21)31-27(26(30-23)20-7-2-1-3-8-20)33-16-14-32(15-17-33)25-13-11-19-6-4-5-9-22(19)29-25/h1-13,18H,14-17H2,(H,34,35)
InChIKeySGEDGUNHRNELJK-UHFFFAOYSA-N
XLogP4.87
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 4875333
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CID 4881923
CID 4881923
CID 71739433
CID 71739433
CID 16048845
CID 16048845
CID 50922674
CID 50922674
CID 50991018
CID 50991018
CID 50991019
CID 50991019
CID 50991020
CID 50991020
CID 50991021
CID 50991021

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(4-quinolin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid?
The IUPAC name of 2-phenyl-3-(4-quinolin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid (CID 50992204) is 2-phenyl-3-(4-quinolin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid.
What is the SMILES notation for 2-phenyl-3-(4-quinolin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid?
The canonical SMILES for 2-phenyl-3-(4-quinolin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid is O=C(O)c1ccc2nc(-c3ccccc3)c(N3CCN(c4ccc5ccccc5n4)CC3)nc2c1.
What is the InChIKey of 2-phenyl-3-(4-quinolin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid?
The InChIKey is SGEDGUNHRNELJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O2/c34-28(35)21-10-12-23-24(18-21)31-27(26(30-23)20-7-2-1-3-8-20)33-16-14-32(15-17-33)25-13-11-19-6-4-5-9-22(19)29-25/h1-13,18H,14-17H2,(H,34,35).
What are the key properties of 2-phenyl-3-(4-quinolin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid?
2-phenyl-3-(4-quinolin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid has a molecular weight of 461.53 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(4-quinolin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid is sourced from PubChem (CID 50992204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).