2-[[6-hydroxy-2-phenyl-3-(1,3-thiazol-2-yl)quinoxaline-5-carbonyl]amino]acetic acid

C20H14N4O4S — CID 135973195

IUPAC2-[[6-hydroxy-2-phenyl-3-(1,3-thiazol-2-yl)quinoxaline-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)ccc2nc(-c3ccccc3)c(-c3nccs3)nc12
InChIInChI=1S/C20H14N4O4S/c25-13-7-6-12-17(15(13)19(28)22-10-14(26)27)24-18(20-21-8-9-29-20)16(23-12)11-4-2-1-3-5-11/h1-9,25H,10H2,(H,22,28)(H,26,27)
InChIKeyKFFJWDQWFUNBIC-UHFFFAOYSA-N
MW406.42 g/mol
LogP2.94
Rot. Bonds5

About 2-[[6-hydroxy-2-phenyl-3-(1,3-thiazol-2-yl)quinoxaline-5-carbonyl]amino]acetic acid

2-[[6-hydroxy-2-phenyl-3-(1,3-thiazol-2-yl)quinoxaline-5-carbonyl]amino]acetic acid (PubChem CID 135973195) has the molecular formula C20H14N4O4S and a molecular weight of 406.42 g/mol. Its IUPAC name is 2-[[6-hydroxy-2-phenyl-3-(1,3-thiazol-2-yl)quinoxaline-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[6-hydroxy-2-phenyl-3-(1,3-thiazol-2-yl)quinoxaline-5-carbonyl]amino]acetic acid
PubChem CID135973195
Molecular FormulaC20H14N4O4S
Molecular Weight406.42 g/mol
Exact Mass406.07
IUPAC Name2-[[6-hydroxy-2-phenyl-3-(1,3-thiazol-2-yl)quinoxaline-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)ccc2nc(-c3ccccc3)c(-c3nccs3)nc12
InChIInChI=1S/C20H14N4O4S/c25-13-7-6-12-17(15(13)19(28)22-10-14(26)27)24-18(20-21-8-9-29-20)16(23-12)11-4-2-1-3-5-11/h1-9,25H,10H2,(H,22,28)(H,26,27)
InChIKeyKFFJWDQWFUNBIC-UHFFFAOYSA-N
XLogP2.94
TPSA125.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-hydroxy-2-phenyl-3-(1,3-thiazol-2-yl)quinoxaline-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[6-hydroxy-2-phenyl-3-(1,3-thiazol-2-yl)quinoxaline-5-carbonyl]amino]acetic acid (CID 135973195) is 2-[[6-hydroxy-2-phenyl-3-(1,3-thiazol-2-yl)quinoxaline-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[6-hydroxy-2-phenyl-3-(1,3-thiazol-2-yl)quinoxaline-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[6-hydroxy-2-phenyl-3-(1,3-thiazol-2-yl)quinoxaline-5-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1c(O)ccc2nc(-c3ccccc3)c(-c3nccs3)nc12.
What is the InChIKey of 2-[[6-hydroxy-2-phenyl-3-(1,3-thiazol-2-yl)quinoxaline-5-carbonyl]amino]acetic acid?
The InChIKey is KFFJWDQWFUNBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O4S/c25-13-7-6-12-17(15(13)19(28)22-10-14(26)27)24-18(20-21-8-9-29-20)16(23-12)11-4-2-1-3-5-11/h1-9,25H,10H2,(H,22,28)(H,26,27).
What are the key properties of 2-[[6-hydroxy-2-phenyl-3-(1,3-thiazol-2-yl)quinoxaline-5-carbonyl]amino]acetic acid?
2-[[6-hydroxy-2-phenyl-3-(1,3-thiazol-2-yl)quinoxaline-5-carbonyl]amino]acetic acid has a molecular weight of 406.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-hydroxy-2-phenyl-3-(1,3-thiazol-2-yl)quinoxaline-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 135973195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).