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

C16H14ClFN2O — CID 43457663

IUPAC6-[amino-(4-chlorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESNC(c1ccc(Cl)cc1)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C16H14ClFN2O/c17-11-4-1-9(2-5-11)16(19)12-7-10-3-6-15(21)20-14(10)8-13(12)18/h1-2,4-5,7-8,16H,3,6,19H2,(H,20,21)
InChIKeyPZGIHJPJSLXYCT-UHFFFAOYSA-N
MW304.75 g/mol
LogP3.41
Rot. Bonds2

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

6-[amino-(4-chlorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43457663) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is 6-[amino-(4-chlorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[amino-(4-chlorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID43457663
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name6-[amino-(4-chlorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESNC(c1ccc(Cl)cc1)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C16H14ClFN2O/c17-11-4-1-9(2-5-11)16(19)12-7-10-3-6-15(21)20-14(10)8-13(12)18/h1-2,4-5,7-8,16H,3,6,19H2,(H,20,21)
InChIKeyPZGIHJPJSLXYCT-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(4-chlorophenyl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61080517
6-[amino-(5-chlorofuran-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 106684062
5-[amino-(4-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457597
7-[amino-(4-chlorophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43342872
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-(2,2,3,3,3-pentafluoro-1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 61083240
6-[amino-(3-bromo-5-chlorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 107950188
6-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 103207168
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
6-(1-amino-2-methylpentyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457682

Frequently Asked Questions

What is the IUPAC name of 6-[amino-(4-chlorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[amino-(4-chlorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 43457663) is 6-[amino-(4-chlorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[amino-(4-chlorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[amino-(4-chlorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is NC(c1ccc(Cl)cc1)c1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of 6-[amino-(4-chlorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PZGIHJPJSLXYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c17-11-4-1-9(2-5-11)16(19)12-7-10-3-6-15(21)20-14(10)8-13(12)18/h1-2,4-5,7-8,16H,3,6,19H2,(H,20,21).
What are the key properties of 6-[amino-(4-chlorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
6-[amino-(4-chlorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 304.75 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(4-chlorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43457663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).