2-methylpropyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate

C15H17NO4 — CID 54685652

IUPAC2-methylpropyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate
SMILESCC(C)COC(=O)Cc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C15H17NO4/c1-9(2)8-20-13(17)7-11-14(18)10-5-3-4-6-12(10)16-15(11)19/h3-6,9H,7-8H2,1-2H3,(H2,16,18,19)
InChIKeyMSTJZWBXUGDFTP-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.98
Rot. Bonds4

About 2-methylpropyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate

2-methylpropyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate (PubChem CID 54685652) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-methylpropyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate.

Molecular Properties

Compound Name2-methylpropyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate
PubChem CID54685652
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-methylpropyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate
SMILESCC(C)COC(=O)Cc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C15H17NO4/c1-9(2)8-20-13(17)7-11-14(18)10-5-3-4-6-12(10)16-15(11)19/h3-6,9H,7-8H2,1-2H3,(H2,16,18,19)
InChIKeyMSTJZWBXUGDFTP-UHFFFAOYSA-N
XLogP1.98
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate?
The IUPAC name of 2-methylpropyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate (CID 54685652) is 2-methylpropyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate.
What is the SMILES notation for 2-methylpropyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate?
The canonical SMILES for 2-methylpropyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate is CC(C)COC(=O)Cc1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of 2-methylpropyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate?
The InChIKey is MSTJZWBXUGDFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-9(2)8-20-13(17)7-11-14(18)10-5-3-4-6-12(10)16-15(11)19/h3-6,9H,7-8H2,1-2H3,(H2,16,18,19).
What are the key properties of 2-methylpropyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate?
2-methylpropyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate has a molecular weight of 275.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate is sourced from PubChem (CID 54685652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).