pentyl 2-oxo-1H-quinoline-4-carboxylate

C15H17NO3 — CID 660585

IUPACpentyl 2-oxo-1H-quinoline-4-carboxylate
SMILESCCCCCOC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C15H17NO3/c1-2-3-6-9-19-15(18)12-10-14(17)16-13-8-5-4-7-11(12)13/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,16,17)
InChIKeyVNSRXRMHBGLCAW-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.88
Rot. Bonds5

About pentyl 2-oxo-1H-quinoline-4-carboxylate

pentyl 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 660585) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is pentyl 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Namepentyl 2-oxo-1H-quinoline-4-carboxylate
PubChem CID660585
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namepentyl 2-oxo-1H-quinoline-4-carboxylate
SMILESCCCCCOC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C15H17NO3/c1-2-3-6-9-19-15(18)12-10-14(17)16-13-8-5-4-7-11(12)13/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,16,17)
InChIKeyVNSRXRMHBGLCAW-UHFFFAOYSA-N
XLogP2.88
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 pentyl 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of pentyl 2-oxo-1H-quinoline-4-carboxylate (CID 660585) is pentyl 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for pentyl 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for pentyl 2-oxo-1H-quinoline-4-carboxylate is CCCCCOC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of pentyl 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is VNSRXRMHBGLCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-2-3-6-9-19-15(18)12-10-14(17)16-13-8-5-4-7-11(12)13/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,16,17).
What are the key properties of pentyl 2-oxo-1H-quinoline-4-carboxylate?
pentyl 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 660585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).