2-(4-hydroxy-2-oxo-1-propylquinolin-3-yl)acetic acid

C14H15NO4 — CID 54683819

IUPAC2-(4-hydroxy-2-oxo-1-propylquinolin-3-yl)acetic acid
SMILESCCCn1c(=O)c(CC(=O)O)c(O)c2ccccc21
InChIInChI=1S/C14H15NO4/c1-2-7-15-11-6-4-3-5-9(11)13(18)10(14(15)19)8-12(16)17/h3-6,18H,2,7-8H2,1H3,(H,16,17)
InChIKeyZBXZXVLEXGDWHV-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.74
Rot. Bonds4

About 2-(4-hydroxy-2-oxo-1-propylquinolin-3-yl)acetic acid

2-(4-hydroxy-2-oxo-1-propylquinolin-3-yl)acetic acid (PubChem CID 54683819) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(4-hydroxy-2-oxo-1-propylquinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-2-oxo-1-propylquinolin-3-yl)acetic acid
PubChem CID54683819
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2-(4-hydroxy-2-oxo-1-propylquinolin-3-yl)acetic acid
SMILESCCCn1c(=O)c(CC(=O)O)c(O)c2ccccc21
InChIInChI=1S/C14H15NO4/c1-2-7-15-11-6-4-3-5-9(11)13(18)10(14(15)19)8-12(16)17/h3-6,18H,2,7-8H2,1H3,(H,16,17)
InChIKeyZBXZXVLEXGDWHV-UHFFFAOYSA-N
XLogP1.74
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2-oxo-1-propylquinolin-3-yl)acetic acid?
The IUPAC name of 2-(4-hydroxy-2-oxo-1-propylquinolin-3-yl)acetic acid (CID 54683819) is 2-(4-hydroxy-2-oxo-1-propylquinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-2-oxo-1-propylquinolin-3-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-2-oxo-1-propylquinolin-3-yl)acetic acid is CCCn1c(=O)c(CC(=O)O)c(O)c2ccccc21.
What is the InChIKey of 2-(4-hydroxy-2-oxo-1-propylquinolin-3-yl)acetic acid?
The InChIKey is ZBXZXVLEXGDWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-2-7-15-11-6-4-3-5-9(11)13(18)10(14(15)19)8-12(16)17/h3-6,18H,2,7-8H2,1H3,(H,16,17).
What are the key properties of 2-(4-hydroxy-2-oxo-1-propylquinolin-3-yl)acetic acid?
2-(4-hydroxy-2-oxo-1-propylquinolin-3-yl)acetic acid has a molecular weight of 261.28 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2-oxo-1-propylquinolin-3-yl)acetic acid is sourced from PubChem (CID 54683819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).