6-[chloro(oxan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one

C15H17ClFNO2 — CID 62215355

IUPAC6-[chloro(oxan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(Cl)C3CCCCO3)c(F)cc2N1
InChIInChI=1S/C15H17ClFNO2/c16-15(13-3-1-2-6-20-13)10-7-9-4-5-14(19)18-12(9)8-11(10)17/h7-8,13,15H,1-6H2,(H,18,19)
InChIKeyBOAMJPBNVKFZNQ-UHFFFAOYSA-N
MW297.76 g/mol
LogP3.56
Rot. Bonds2

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

6-[chloro(oxan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 62215355) has the molecular formula C15H17ClFNO2 and a molecular weight of 297.76 g/mol. Its IUPAC name is 6-[chloro(oxan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[chloro(oxan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID62215355
Molecular FormulaC15H17ClFNO2
Molecular Weight297.76 g/mol
Exact Mass297.09
IUPAC Name6-[chloro(oxan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(Cl)C3CCCCO3)c(F)cc2N1
InChIInChI=1S/C15H17ClFNO2/c16-15(13-3-1-2-6-20-13)10-7-9-4-5-14(19)18-12(9)8-11(10)17/h7-8,13,15H,1-6H2,(H,18,19)
InChIKeyBOAMJPBNVKFZNQ-UHFFFAOYSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[chloro-(2-methylcyclopentyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 107182090
6-[cyclohexyl(hydroxy)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61081459
6-[bromo(cycloheptyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 63442796
6-[amino(cyclobutyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43383703
6-[chloro-(2-fluorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61086278
7-fluoro-6-(oxolane-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 43457544
6-[(5-bromofuran-2-yl)-chloromethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61085252
6-(1-chloro-2-phenylethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61083648
6-[amino-(5-chlorofuran-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 106684062
7-fluoro-6-(2,2,3,3,3-pentafluoro-1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 61083240
6-[(4-chlorophenyl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61080517
6-[amino-(4-chlorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457663

Frequently Asked Questions

What is the IUPAC name of 6-[chloro(oxan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[chloro(oxan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 62215355) is 6-[chloro(oxan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[chloro(oxan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[chloro(oxan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(Cl)C3CCCCO3)c(F)cc2N1.
What is the InChIKey of 6-[chloro(oxan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BOAMJPBNVKFZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO2/c16-15(13-3-1-2-6-20-13)10-7-9-4-5-14(19)18-12(9)8-11(10)17/h7-8,13,15H,1-6H2,(H,18,19).
What are the key properties of 6-[chloro(oxan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
6-[chloro(oxan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 297.76 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro(oxan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 62215355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).