2-[3-(4-hydroxyphenyl)-5,7-dimethoxy-2-oxoquinolin-1-yl]acetic acid

C19H17NO6 — CID 70195964

IUPAC2-[3-(4-hydroxyphenyl)-5,7-dimethoxy-2-oxoquinolin-1-yl]acetic acid
SMILESCOc1cc(OC)c2cc(-c3ccc(O)cc3)c(=O)n(CC(=O)O)c2c1
InChIInChI=1S/C19H17NO6/c1-25-13-7-16-15(17(8-13)26-2)9-14(11-3-5-12(21)6-4-11)19(24)20(16)10-18(22)23/h3-9,21H,10H2,1-2H3,(H,22,23)
InChIKeyGRAMXQRAHKWSHD-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.48
Rot. Bonds5

About 2-[3-(4-hydroxyphenyl)-5,7-dimethoxy-2-oxoquinolin-1-yl]acetic acid

2-[3-(4-hydroxyphenyl)-5,7-dimethoxy-2-oxoquinolin-1-yl]acetic acid (PubChem CID 70195964) has the molecular formula C19H17NO6 and a molecular weight of 355.35 g/mol. Its IUPAC name is 2-[3-(4-hydroxyphenyl)-5,7-dimethoxy-2-oxoquinolin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-hydroxyphenyl)-5,7-dimethoxy-2-oxoquinolin-1-yl]acetic acid
PubChem CID70195964
Molecular FormulaC19H17NO6
Molecular Weight355.35 g/mol
Exact Mass355.11
IUPAC Name2-[3-(4-hydroxyphenyl)-5,7-dimethoxy-2-oxoquinolin-1-yl]acetic acid
SMILESCOc1cc(OC)c2cc(-c3ccc(O)cc3)c(=O)n(CC(=O)O)c2c1
InChIInChI=1S/C19H17NO6/c1-25-13-7-16-15(17(8-13)26-2)9-14(11-3-5-12(21)6-4-11)19(24)20(16)10-18(22)23/h3-9,21H,10H2,1-2H3,(H,22,23)
InChIKeyGRAMXQRAHKWSHD-UHFFFAOYSA-N
XLogP2.48
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-hydroxyphenyl)-5,7-dimethoxy-2-oxoquinolin-1-yl]acetic acid?
The IUPAC name of 2-[3-(4-hydroxyphenyl)-5,7-dimethoxy-2-oxoquinolin-1-yl]acetic acid (CID 70195964) is 2-[3-(4-hydroxyphenyl)-5,7-dimethoxy-2-oxoquinolin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-hydroxyphenyl)-5,7-dimethoxy-2-oxoquinolin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(4-hydroxyphenyl)-5,7-dimethoxy-2-oxoquinolin-1-yl]acetic acid is COc1cc(OC)c2cc(-c3ccc(O)cc3)c(=O)n(CC(=O)O)c2c1.
What is the InChIKey of 2-[3-(4-hydroxyphenyl)-5,7-dimethoxy-2-oxoquinolin-1-yl]acetic acid?
The InChIKey is GRAMXQRAHKWSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6/c1-25-13-7-16-15(17(8-13)26-2)9-14(11-3-5-12(21)6-4-11)19(24)20(16)10-18(22)23/h3-9,21H,10H2,1-2H3,(H,22,23).
What are the key properties of 2-[3-(4-hydroxyphenyl)-5,7-dimethoxy-2-oxoquinolin-1-yl]acetic acid?
2-[3-(4-hydroxyphenyl)-5,7-dimethoxy-2-oxoquinolin-1-yl]acetic acid has a molecular weight of 355.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-hydroxyphenyl)-5,7-dimethoxy-2-oxoquinolin-1-yl]acetic acid is sourced from PubChem (CID 70195964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).