2-[[6-hydroxy-3-phenyl-2-(2-phenylethyl)quinoxaline-5-carbonyl]amino]acetic acid

C25H21N3O4 — CID 135973158

IUPAC2-[[6-hydroxy-3-phenyl-2-(2-phenylethyl)quinoxaline-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)ccc2nc(CCc3ccccc3)c(-c3ccccc3)nc12
InChIInChI=1S/C25H21N3O4/c29-20-14-13-19-24(22(20)25(32)26-15-21(30)31)28-23(17-9-5-2-6-10-17)18(27-19)12-11-16-7-3-1-4-8-16/h1-10,13-14,29H,11-12,15H2,(H,26,32)(H,30,31)
InChIKeyFBCKOHPMQZDBGI-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.60
Rot. Bonds7

About 2-[[6-hydroxy-3-phenyl-2-(2-phenylethyl)quinoxaline-5-carbonyl]amino]acetic acid

2-[[6-hydroxy-3-phenyl-2-(2-phenylethyl)quinoxaline-5-carbonyl]amino]acetic acid (PubChem CID 135973158) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-[[6-hydroxy-3-phenyl-2-(2-phenylethyl)quinoxaline-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[6-hydroxy-3-phenyl-2-(2-phenylethyl)quinoxaline-5-carbonyl]amino]acetic acid
PubChem CID135973158
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC Name2-[[6-hydroxy-3-phenyl-2-(2-phenylethyl)quinoxaline-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)ccc2nc(CCc3ccccc3)c(-c3ccccc3)nc12
InChIInChI=1S/C25H21N3O4/c29-20-14-13-19-24(22(20)25(32)26-15-21(30)31)28-23(17-9-5-2-6-10-17)18(27-19)12-11-16-7-3-1-4-8-16/h1-10,13-14,29H,11-12,15H2,(H,26,32)(H,30,31)
InChIKeyFBCKOHPMQZDBGI-UHFFFAOYSA-N
XLogP3.60
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-hydroxy-3-phenyl-2-(2-phenylethyl)quinoxaline-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[6-hydroxy-3-phenyl-2-(2-phenylethyl)quinoxaline-5-carbonyl]amino]acetic acid (CID 135973158) is 2-[[6-hydroxy-3-phenyl-2-(2-phenylethyl)quinoxaline-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[6-hydroxy-3-phenyl-2-(2-phenylethyl)quinoxaline-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[6-hydroxy-3-phenyl-2-(2-phenylethyl)quinoxaline-5-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1c(O)ccc2nc(CCc3ccccc3)c(-c3ccccc3)nc12.
What is the InChIKey of 2-[[6-hydroxy-3-phenyl-2-(2-phenylethyl)quinoxaline-5-carbonyl]amino]acetic acid?
The InChIKey is FBCKOHPMQZDBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4/c29-20-14-13-19-24(22(20)25(32)26-15-21(30)31)28-23(17-9-5-2-6-10-17)18(27-19)12-11-16-7-3-1-4-8-16/h1-10,13-14,29H,11-12,15H2,(H,26,32)(H,30,31).
What are the key properties of 2-[[6-hydroxy-3-phenyl-2-(2-phenylethyl)quinoxaline-5-carbonyl]amino]acetic acid?
2-[[6-hydroxy-3-phenyl-2-(2-phenylethyl)quinoxaline-5-carbonyl]amino]acetic acid has a molecular weight of 427.46 g/mol, XLogP of 3.60, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-hydroxy-3-phenyl-2-(2-phenylethyl)quinoxaline-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 135973158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).