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

C15H17NO4 — CID 54685992

IUPACbutyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate
SMILESCCCCOC(=O)Cc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C15H17NO4/c1-2-3-8-20-13(17)9-11-14(18)10-6-4-5-7-12(10)16-15(11)19/h4-7H,2-3,8-9H2,1H3,(H2,16,18,19)
InChIKeyUEWCTIWISWJQKZ-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.12
Rot. Bonds5

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

butyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate (PubChem CID 54685992) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is butyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate.

Molecular Properties

Compound Namebutyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate
PubChem CID54685992
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Namebutyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate
SMILESCCCCOC(=O)Cc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C15H17NO4/c1-2-3-8-20-13(17)9-11-14(18)10-6-4-5-7-12(10)16-15(11)19/h4-7H,2-3,8-9H2,1H3,(H2,16,18,19)
InChIKeyUEWCTIWISWJQKZ-UHFFFAOYSA-N
XLogP2.12
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate?
The IUPAC name of butyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate (CID 54685992) is butyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate.
What is the SMILES notation for butyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate?
The canonical SMILES for butyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate is CCCCOC(=O)Cc1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of butyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate?
The InChIKey is UEWCTIWISWJQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-2-3-8-20-13(17)9-11-14(18)10-6-4-5-7-12(10)16-15(11)19/h4-7H,2-3,8-9H2,1H3,(H2,16,18,19).
What are the key properties of butyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate?
butyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate has a molecular weight of 275.30 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate is sourced from PubChem (CID 54685992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).