4-cyclopentyl-6-fluoro-7-iodo-1,3-dihydroquinoxalin-2-one

C13H14FIN2O — CID 79291639

IUPAC4-cyclopentyl-6-fluoro-7-iodo-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C2CCCC2)c2cc(F)c(I)cc2N1
InChIInChI=1S/C13H14FIN2O/c14-9-5-12-11(6-10(9)15)16-13(18)7-17(12)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,16,18)
InChIKeyUHZGQRUQTCBYON-UHFFFAOYSA-N
MW360.17 g/mol
LogP3.13
Rot. Bonds1

About 4-cyclopentyl-6-fluoro-7-iodo-1,3-dihydroquinoxalin-2-one

4-cyclopentyl-6-fluoro-7-iodo-1,3-dihydroquinoxalin-2-one (PubChem CID 79291639) has the molecular formula C13H14FIN2O and a molecular weight of 360.17 g/mol. Its IUPAC name is 4-cyclopentyl-6-fluoro-7-iodo-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-cyclopentyl-6-fluoro-7-iodo-1,3-dihydroquinoxalin-2-one
PubChem CID79291639
Molecular FormulaC13H14FIN2O
Molecular Weight360.17 g/mol
Exact Mass360.01
IUPAC Name4-cyclopentyl-6-fluoro-7-iodo-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C2CCCC2)c2cc(F)c(I)cc2N1
InChIInChI=1S/C13H14FIN2O/c14-9-5-12-11(6-10(9)15)16-13(18)7-17(12)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,16,18)
InChIKeyUHZGQRUQTCBYON-UHFFFAOYSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.17
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-6-fluoro-7-iodo-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-cyclopentyl-6-fluoro-7-iodo-1,3-dihydroquinoxalin-2-one (CID 79291639) is 4-cyclopentyl-6-fluoro-7-iodo-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-cyclopentyl-6-fluoro-7-iodo-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-cyclopentyl-6-fluoro-7-iodo-1,3-dihydroquinoxalin-2-one is O=C1CN(C2CCCC2)c2cc(F)c(I)cc2N1.
What is the InChIKey of 4-cyclopentyl-6-fluoro-7-iodo-1,3-dihydroquinoxalin-2-one?
The InChIKey is UHZGQRUQTCBYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FIN2O/c14-9-5-12-11(6-10(9)15)16-13(18)7-17(12)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,16,18).
What are the key properties of 4-cyclopentyl-6-fluoro-7-iodo-1,3-dihydroquinoxalin-2-one?
4-cyclopentyl-6-fluoro-7-iodo-1,3-dihydroquinoxalin-2-one has a molecular weight of 360.17 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6-fluoro-7-iodo-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 79291639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).