2-[7-chloro-3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid

C16H11ClN2O5 — CID 136961590

IUPAC2-[7-chloro-3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid
SMILESO=C(O)Cn1c(=O)c(-c2ccc(O)cc2O)nc2ccc(Cl)cc21
InChIInChI=1S/C16H11ClN2O5/c17-8-1-4-11-12(5-8)19(7-14(22)23)16(24)15(18-11)10-3-2-9(20)6-13(10)21/h1-6,20-21H,7H2,(H,22,23)
InChIKeyHWEXVQSJWPBZCY-UHFFFAOYSA-N
MW346.73 g/mol
LogP2.21
Rot. Bonds3

About 2-[7-chloro-3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid

2-[7-chloro-3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid (PubChem CID 136961590) has the molecular formula C16H11ClN2O5 and a molecular weight of 346.73 g/mol. Its IUPAC name is 2-[7-chloro-3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[7-chloro-3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid
PubChem CID136961590
Molecular FormulaC16H11ClN2O5
Molecular Weight346.73 g/mol
Exact Mass346.04
IUPAC Name2-[7-chloro-3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid
SMILESO=C(O)Cn1c(=O)c(-c2ccc(O)cc2O)nc2ccc(Cl)cc21
InChIInChI=1S/C16H11ClN2O5/c17-8-1-4-11-12(5-8)19(7-14(22)23)16(24)15(18-11)10-3-2-9(20)6-13(10)21/h1-6,20-21H,7H2,(H,22,23)
InChIKeyHWEXVQSJWPBZCY-UHFFFAOYSA-N
XLogP2.21
TPSA112.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.73
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(2,4-Dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid
CID 136961585
2-[3-(2,4-Dihydroxyphenyl)-6-fluoro-2-oxoquinoxalin-1-yl]acetic acid
CID 136961586
2-[6-Chloro-3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid
CID 136961587
2-[6-Bromo-3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid
CID 136961588
2-[3-(2,4-Dihydroxyphenyl)-7-fluoro-2-oxoquinoxalin-1-yl]acetic acid
CID 136961589
2-[7-Bromo-3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid
CID 136961591
2-[3-(4-Hydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid
CID 136961584
2-[3-(2,4-Dihydroxyphenyl)-7-[(4-fluorophenyl)methyl]-2-oxoquinoxalin-1-yl]acetic acid
CID 136961592

Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid?
The IUPAC name of 2-[7-chloro-3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid (CID 136961590) is 2-[7-chloro-3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid.
What is the SMILES notation for 2-[7-chloro-3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid?
The canonical SMILES for 2-[7-chloro-3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid is O=C(O)Cn1c(=O)c(-c2ccc(O)cc2O)nc2ccc(Cl)cc21.
What is the InChIKey of 2-[7-chloro-3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid?
The InChIKey is HWEXVQSJWPBZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O5/c17-8-1-4-11-12(5-8)19(7-14(22)23)16(24)15(18-11)10-3-2-9(20)6-13(10)21/h1-6,20-21H,7H2,(H,22,23).
What are the key properties of 2-[7-chloro-3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid?
2-[7-chloro-3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid has a molecular weight of 346.73 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-3-(2,4-dihydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid is sourced from PubChem (CID 136961590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).