6-[(4-chloro-2-fluorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one

C16H14ClFN2O — CID 114841931

IUPAC6-[(4-chloro-2-fluorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(NCc3ccc(Cl)cc3F)ccc2N1
InChIInChI=1S/C16H14ClFN2O/c17-12-3-1-11(14(18)8-12)9-19-13-4-5-15-10(7-13)2-6-16(21)20-15/h1,3-5,7-8,19H,2,6,9H2,(H,20,21)
InChIKeyJPVNWEALNAYLQD-UHFFFAOYSA-N
MW304.75 g/mol
LogP3.98
Rot. Bonds3

About 6-[(4-chloro-2-fluorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one

6-[(4-chloro-2-fluorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 114841931) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is 6-[(4-chloro-2-fluorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(4-chloro-2-fluorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID114841931
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name6-[(4-chloro-2-fluorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(NCc3ccc(Cl)cc3F)ccc2N1
InChIInChI=1S/C16H14ClFN2O/c17-12-3-1-11(14(18)8-12)9-19-13-4-5-15-10(7-13)2-6-16(21)20-15/h1,3-5,7-8,19H,2,6,9H2,(H,20,21)
InChIKeyJPVNWEALNAYLQD-UHFFFAOYSA-N
XLogP3.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(2,4-dihydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43737966
6-[(4-bromo-2-chlorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 115743080
6-[(4-chloro-2-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one
CID 114841432
6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737958
1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
CID 30375883
6-(cyclopropylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43738023
6-[(5-bromothiophen-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43737971
N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647907
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanenitrile
CID 115231431
N-[(4-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 139975297
6-(cyclopentylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 62071402

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-2-fluorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(4-chloro-2-fluorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one (CID 114841931) is 6-[(4-chloro-2-fluorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(4-chloro-2-fluorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(4-chloro-2-fluorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(NCc3ccc(Cl)cc3F)ccc2N1.
What is the InChIKey of 6-[(4-chloro-2-fluorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JPVNWEALNAYLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c17-12-3-1-11(14(18)8-12)9-19-13-4-5-15-10(7-13)2-6-16(21)20-15/h1,3-5,7-8,19H,2,6,9H2,(H,20,21).
What are the key properties of 6-[(4-chloro-2-fluorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
6-[(4-chloro-2-fluorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 304.75 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloro-2-fluorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 114841931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).