6-[bromo-(5-chlorofuran-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one

C14H10BrClFNO2 — CID 106689108

IUPAC6-[bromo-(5-chlorofuran-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(Br)c3ccc(Cl)o3)c(F)cc2N1
InChIInChI=1S/C14H10BrClFNO2/c15-14(11-2-3-12(16)20-11)8-5-7-1-4-13(19)18-10(7)6-9(8)17/h2-3,5-6,14H,1,4H2,(H,18,19)
InChIKeyZJULBEFVBIPFJP-UHFFFAOYSA-N
MW358.59 g/mol
LogP4.44
Rot. Bonds2

About 6-[bromo-(5-chlorofuran-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one

6-[bromo-(5-chlorofuran-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 106689108) has the molecular formula C14H10BrClFNO2 and a molecular weight of 358.59 g/mol. Its IUPAC name is 6-[bromo-(5-chlorofuran-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[bromo-(5-chlorofuran-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID106689108
Molecular FormulaC14H10BrClFNO2
Molecular Weight358.59 g/mol
Exact Mass356.96
IUPAC Name6-[bromo-(5-chlorofuran-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(Br)c3ccc(Cl)o3)c(F)cc2N1
InChIInChI=1S/C14H10BrClFNO2/c15-14(11-2-3-12(16)20-11)8-5-7-1-4-13(19)18-10(7)6-9(8)17/h2-3,5-6,14H,1,4H2,(H,18,19)
InChIKeyZJULBEFVBIPFJP-UHFFFAOYSA-N
XLogP4.44
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.59
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[bromo-(5-chlorofuran-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[bromo-(5-chlorofuran-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 106689108) is 6-[bromo-(5-chlorofuran-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[bromo-(5-chlorofuran-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[bromo-(5-chlorofuran-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(Br)c3ccc(Cl)o3)c(F)cc2N1.
What is the InChIKey of 6-[bromo-(5-chlorofuran-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZJULBEFVBIPFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO2/c15-14(11-2-3-12(16)20-11)8-5-7-1-4-13(19)18-10(7)6-9(8)17/h2-3,5-6,14H,1,4H2,(H,18,19).
What are the key properties of 6-[bromo-(5-chlorofuran-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
6-[bromo-(5-chlorofuran-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 358.59 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bromo-(5-chlorofuran-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 106689108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).