cyclopentyl 7-iodo-4-oxo-1H-quinoline-3-carboxylate

C15H14INO3 — CID 57172194

IUPACcyclopentyl 7-iodo-4-oxo-1H-quinoline-3-carboxylate
SMILESO=C(OC1CCCC1)c1c[nH]c2cc(I)ccc2c1=O
InChIInChI=1S/C15H14INO3/c16-9-5-6-11-13(7-9)17-8-12(14(11)18)15(19)20-10-3-1-2-4-10/h5-8,10H,1-4H2,(H,17,18)
InChIKeyMKFVPRLAJMBBHS-UHFFFAOYSA-N
MW383.19 g/mol
LogP3.23
Rot. Bonds2

About cyclopentyl 7-iodo-4-oxo-1H-quinoline-3-carboxylate

cyclopentyl 7-iodo-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 57172194) has the molecular formula C15H14INO3 and a molecular weight of 383.19 g/mol. Its IUPAC name is cyclopentyl 7-iodo-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namecyclopentyl 7-iodo-4-oxo-1H-quinoline-3-carboxylate
PubChem CID57172194
Molecular FormulaC15H14INO3
Molecular Weight383.19 g/mol
Exact Mass383.00
IUPAC Namecyclopentyl 7-iodo-4-oxo-1H-quinoline-3-carboxylate
SMILESO=C(OC1CCCC1)c1c[nH]c2cc(I)ccc2c1=O
InChIInChI=1S/C15H14INO3/c16-9-5-6-11-13(7-9)17-8-12(14(11)18)15(19)20-10-3-1-2-4-10/h5-8,10H,1-4H2,(H,17,18)
InChIKeyMKFVPRLAJMBBHS-UHFFFAOYSA-N
XLogP3.23
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.19
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 7-iodo-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of cyclopentyl 7-iodo-4-oxo-1H-quinoline-3-carboxylate (CID 57172194) is cyclopentyl 7-iodo-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for cyclopentyl 7-iodo-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for cyclopentyl 7-iodo-4-oxo-1H-quinoline-3-carboxylate is O=C(OC1CCCC1)c1c[nH]c2cc(I)ccc2c1=O.
What is the InChIKey of cyclopentyl 7-iodo-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is MKFVPRLAJMBBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO3/c16-9-5-6-11-13(7-9)17-8-12(14(11)18)15(19)20-10-3-1-2-4-10/h5-8,10H,1-4H2,(H,17,18).
What are the key properties of cyclopentyl 7-iodo-4-oxo-1H-quinoline-3-carboxylate?
cyclopentyl 7-iodo-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 383.19 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 7-iodo-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 57172194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).