6-[(4-chlorophenyl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one

C16H13ClFNO2 — CID 61080517

IUPAC6-[(4-chlorophenyl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(O)c3ccc(Cl)cc3)c(F)cc2N1
InChIInChI=1S/C16H13ClFNO2/c17-11-4-1-9(2-5-11)16(21)12-7-10-3-6-15(20)19-14(10)8-13(12)18/h1-2,4-5,7-8,16,21H,3,6H2,(H,19,20)
InChIKeyAFEMYWSAPQEPPV-UHFFFAOYSA-N
MW305.74 g/mol
LogP3.45
Rot. Bonds2

About 6-[(4-chlorophenyl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one

6-[(4-chlorophenyl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 61080517) has the molecular formula C16H13ClFNO2 and a molecular weight of 305.74 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID61080517
Molecular FormulaC16H13ClFNO2
Molecular Weight305.74 g/mol
Exact Mass305.06
IUPAC Name6-[(4-chlorophenyl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(O)c3ccc(Cl)cc3)c(F)cc2N1
InChIInChI=1S/C16H13ClFNO2/c17-11-4-1-9(2-5-11)16(21)12-7-10-3-6-15(20)19-14(10)8-13(12)18/h1-2,4-5,7-8,16,21H,3,6H2,(H,19,20)
InChIKeyAFEMYWSAPQEPPV-UHFFFAOYSA-N
XLogP3.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[amino-(4-chlorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457663
6-[(3-chloro-2-fluorophenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one
CID 81264995
6-[(3-chloro-4-methylthiophen-2-yl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 103404357
7-fluoro-6-(2,2,3,3,3-pentafluoro-1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 61083240
6-[chloro-(2-fluorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61086278
6-[cyclohexyl(hydroxy)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61081459
6-[amino-(5-chlorofuran-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 106684062
6-[(2-chloro-4-methylphenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one
CID 106862670
6-chloro-5-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 63210472
N-[2-(4-chlorophenyl)sulfanylethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55903441
6-[bromo-(3-chlorothiophen-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 80642266
6-[chloro-(3-methylphenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61086076

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(4-chlorophenyl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 61080517) is 6-[(4-chlorophenyl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(4-chlorophenyl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(4-chlorophenyl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(O)c3ccc(Cl)cc3)c(F)cc2N1.
What is the InChIKey of 6-[(4-chlorophenyl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is AFEMYWSAPQEPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO2/c17-11-4-1-9(2-5-11)16(21)12-7-10-3-6-15(20)19-14(10)8-13(12)18/h1-2,4-5,7-8,16,21H,3,6H2,(H,19,20).
What are the key properties of 6-[(4-chlorophenyl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
6-[(4-chlorophenyl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 305.74 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 61080517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).