4-[(2-fluorophenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one

C17H17FN2O — CID 43763715

IUPAC4-[(2-fluorophenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CC(NCc2ccccc2F)c2ccccc21
InChIInChI=1S/C17H17FN2O/c1-20-16-9-5-3-7-13(16)15(10-17(20)21)19-11-12-6-2-4-8-14(12)18/h2-9,15,19H,10-11H2,1H3
InChIKeyNLUNUVHYTZFHJV-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.02
Rot. Bonds3

About 4-[(2-fluorophenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one

4-[(2-fluorophenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 43763715) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID43763715
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name4-[(2-fluorophenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CC(NCc2ccccc2F)c2ccccc21
InChIInChI=1S/C17H17FN2O/c1-20-16-9-5-3-7-13(16)15(10-17(20)21)19-11-12-6-2-4-8-14(12)18/h2-9,15,19H,10-11H2,1H3
InChIKeyNLUNUVHYTZFHJV-UHFFFAOYSA-N
XLogP3.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-hydroxyphenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
CID 115715625
4-(2-hydroxypropylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 43776299
1-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-3,4-dihydroquinolin-2-one
CID 103903270
4-(2-ethylbutylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 115718008
4-(cyclobutylmethylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 43775263
4-(2-bromo-6-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one
CID 107598216
(3R)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820410
(3S)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820411
1-methyl-4-(3-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one
CID 63981224
1-methyl-4-(2-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one
CID 115895572
2-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)amino]ethylurea
CID 83110177
4-(methoxyamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 82706106

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 4-[(2-fluorophenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one (CID 43763715) is 4-[(2-fluorophenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 4-[(2-fluorophenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 4-[(2-fluorophenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CC(NCc2ccccc2F)c2ccccc21.
What is the InChIKey of 4-[(2-fluorophenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is NLUNUVHYTZFHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-20-16-9-5-3-7-13(16)15(10-17(20)21)19-11-12-6-2-4-8-14(12)18/h2-9,15,19H,10-11H2,1H3.
What are the key properties of 4-[(2-fluorophenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one?
4-[(2-fluorophenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 284.33 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 43763715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).