3-[(4-fluoroanilino)methyl]-6-methoxy-1H-quinolin-2-one

C17H15FN2O2 — CID 856495

IUPAC3-[(4-fluoroanilino)methyl]-6-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CNc3ccc(F)cc3)cc2c1
InChIInChI=1S/C17H15FN2O2/c1-22-15-6-7-16-11(9-15)8-12(17(21)20-16)10-19-14-4-2-13(18)3-5-14/h2-9,19H,10H2,1H3,(H,20,21)
InChIKeyROSVNAUJMZHWNS-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.29
Rot. Bonds4

About 3-[(4-fluoroanilino)methyl]-6-methoxy-1H-quinolin-2-one

3-[(4-fluoroanilino)methyl]-6-methoxy-1H-quinolin-2-one (PubChem CID 856495) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-[(4-fluoroanilino)methyl]-6-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(4-fluoroanilino)methyl]-6-methoxy-1H-quinolin-2-one
PubChem CID856495
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name3-[(4-fluoroanilino)methyl]-6-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CNc3ccc(F)cc3)cc2c1
InChIInChI=1S/C17H15FN2O2/c1-22-15-6-7-16-11(9-15)8-12(17(21)20-16)10-19-14-4-2-13(18)3-5-14/h2-9,19H,10H2,1H3,(H,20,21)
InChIKeyROSVNAUJMZHWNS-UHFFFAOYSA-N
XLogP3.29
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 943158
3-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-6-methoxy-1H-quinolin-2-one
CID 856569
6-ethoxy-3-[(4-methylanilino)methyl]-1H-quinolin-2-one
CID 25318901
6-ethyl-3-[(3-methoxyanilino)methyl]-1H-quinolin-2-one
CID 25361645
3-[(2-chloroanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 25318984
3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one
CID 865120
3-(4-fluorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]thiourea
CID 3173921
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 110324860
4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylbenzenesulfonamide
CID 110324955
1-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1138315
3-[(3,4-dimethoxyanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 95855590
3-[[(4-chlorophenyl)methylamino]methyl]-6-methoxy-1H-quinolin-2-one
CID 18525193

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoroanilino)methyl]-6-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[(4-fluoroanilino)methyl]-6-methoxy-1H-quinolin-2-one (CID 856495) is 3-[(4-fluoroanilino)methyl]-6-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[(4-fluoroanilino)methyl]-6-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[(4-fluoroanilino)methyl]-6-methoxy-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(CNc3ccc(F)cc3)cc2c1.
What is the InChIKey of 3-[(4-fluoroanilino)methyl]-6-methoxy-1H-quinolin-2-one?
The InChIKey is ROSVNAUJMZHWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-22-15-6-7-16-11(9-15)8-12(17(21)20-16)10-19-14-4-2-13(18)3-5-14/h2-9,19H,10H2,1H3,(H,20,21).
What are the key properties of 3-[(4-fluoroanilino)methyl]-6-methoxy-1H-quinolin-2-one?
3-[(4-fluoroanilino)methyl]-6-methoxy-1H-quinolin-2-one has a molecular weight of 298.32 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoroanilino)methyl]-6-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 856495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).