1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid

C19H17NO5 — CID 70684217

IUPAC1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid
SMILESCOc1ccc(-c2ccc3c(c2)c(=O)c(C(=O)O)cn3CCO)cc1
InChIInChI=1S/C19H17NO5/c1-25-14-5-2-12(3-6-14)13-4-7-17-15(10-13)18(22)16(19(23)24)11-20(17)8-9-21/h2-7,10-11,21H,8-9H2,1H3,(H,23,24)
InChIKeyZLPCZAGTYOYPTI-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.37
Rot. Bonds5

About 1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid

1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 70684217) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid
PubChem CID70684217
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid
SMILESCOc1ccc(-c2ccc3c(c2)c(=O)c(C(=O)O)cn3CCO)cc1
InChIInChI=1S/C19H17NO5/c1-25-14-5-2-12(3-6-14)13-4-7-17-15(10-13)18(22)16(19(23)24)11-20(17)8-9-21/h2-7,10-11,21H,8-9H2,1H3,(H,23,24)
InChIKeyZLPCZAGTYOYPTI-UHFFFAOYSA-N
XLogP2.37
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid (CID 70684217) is 1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid is COc1ccc(-c2ccc3c(c2)c(=O)c(C(=O)O)cn3CCO)cc1.
What is the InChIKey of 1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is ZLPCZAGTYOYPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-25-14-5-2-12(3-6-14)13-4-7-17-15(10-13)18(22)16(19(23)24)11-20(17)8-9-21/h2-7,10-11,21H,8-9H2,1H3,(H,23,24).
What are the key properties of 1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid?
1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 339.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 70684217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).