2-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid

C18H14N2O4 — CID 136961595

IUPAC2-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid
SMILESO=C(O)Cn1c(=O)c(/C=C/c2ccc(O)cc2)nc2ccccc21
InChIInChI=1S/C18H14N2O4/c21-13-8-5-12(6-9-13)7-10-15-18(24)20(11-17(22)23)16-4-2-1-3-14(16)19-15/h1-10,21H,11H2,(H,22,23)/b10-7+
InChIKeyQMFLCQBSTXRDCH-JXMROGBWSA-N
MW322.32 g/mol
LogP2.36
Rot. Bonds4

About 2-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid

2-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid (PubChem CID 136961595) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 2-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid
PubChem CID136961595
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name2-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid
SMILESO=C(O)Cn1c(=O)c(/C=C/c2ccc(O)cc2)nc2ccccc21
InChIInChI=1S/C18H14N2O4/c21-13-8-5-12(6-9-13)7-10-15-18(24)20(11-17(22)23)16-4-2-1-3-14(16)19-15/h1-10,21H,11H2,(H,22,23)/b10-7+
InChIKeyQMFLCQBSTXRDCH-JXMROGBWSA-N
XLogP2.36
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid
CID 137290276
2-[7-chloro-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid
CID 137292390
N-(4-chlorophenyl)-2-[2-oxo-3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-1-yl]acetamide
CID 127031788
N-(3,4-dichlorophenyl)-2-[2-oxo-3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-1-yl]acetamide
CID 127031789
2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]-N-(trifluoromethylsulfonyl)acetamide
CID 155562955
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
2-[3-[(4-chlorophenyl)methyl]-2-oxoquinoxalin-1-yl]acetic acid
CID 72724187
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
2-(2-hydrazinylbenzimidazol-1-yl)acetic acid
CID 2773162
2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazol-1-yl]-1-phenylethanone
CID 16999755
2-(2-anilinobenzimidazol-1-yl)acetic acid
CID 15944452
2-[2-(1,1,2,2,2-pentafluoroethyl)benzimidazol-1-yl]acetic acid
CID 43248585

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid?
The IUPAC name of 2-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid (CID 136961595) is 2-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid is O=C(O)Cn1c(=O)c(/C=C/c2ccc(O)cc2)nc2ccccc21.
What is the InChIKey of 2-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid?
The InChIKey is QMFLCQBSTXRDCH-JXMROGBWSA-N. The full InChI is InChI=1S/C18H14N2O4/c21-13-8-5-12(6-9-13)7-10-15-18(24)20(11-17(22)23)16-4-2-1-3-14(16)19-15/h1-10,21H,11H2,(H,22,23)/b10-7+.
What are the key properties of 2-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid?
2-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid has a molecular weight of 322.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid is sourced from PubChem (CID 136961595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).