6-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-5-[(3-methylphenoxy)methyl]-1,4-dihydroquinolin-3-one

C26H26FNO3 — CID 147443993

IUPAC6-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-5-[(3-methylphenoxy)methyl]-1,4-dihydroquinolin-3-one
SMILESCOc1ccc(F)cc1-c1ccc2c(c1COc1cccc(C)c1)CC(=O)C(C)(C)N2
InChIInChI=1S/C26H26FNO3/c1-16-6-5-7-18(12-16)31-15-22-19(21-13-17(27)8-11-24(21)30-4)9-10-23-20(22)14-25(29)26(2,3)28-23/h5-13,28H,14-15H2,1-4H3
InChIKeyDWTMKGFXMPQZTL-UHFFFAOYSA-N
MW419.50 g/mol
LogP5.70
Rot. Bonds5

About 6-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-5-[(3-methylphenoxy)methyl]-1,4-dihydroquinolin-3-one

6-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-5-[(3-methylphenoxy)methyl]-1,4-dihydroquinolin-3-one (PubChem CID 147443993) has the molecular formula C26H26FNO3 and a molecular weight of 419.50 g/mol. Its IUPAC name is 6-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-5-[(3-methylphenoxy)methyl]-1,4-dihydroquinolin-3-one.

Molecular Properties

Compound Name6-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-5-[(3-methylphenoxy)methyl]-1,4-dihydroquinolin-3-one
PubChem CID147443993
Molecular FormulaC26H26FNO3
Molecular Weight419.50 g/mol
Exact Mass419.19
IUPAC Name6-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-5-[(3-methylphenoxy)methyl]-1,4-dihydroquinolin-3-one
SMILESCOc1ccc(F)cc1-c1ccc2c(c1COc1cccc(C)c1)CC(=O)C(C)(C)N2
InChIInChI=1S/C26H26FNO3/c1-16-6-5-7-18(12-16)31-15-22-19(21-13-17(27)8-11-24(21)30-4)9-10-23-20(22)14-25(29)26(2,3)28-23/h5-13,28H,14-15H2,1-4H3
InChIKeyDWTMKGFXMPQZTL-UHFFFAOYSA-N
XLogP5.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.50
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-5-[(3-methylphenoxy)methyl]-1,4-dihydroquinolin-3-one with MolForge

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Related Compounds

[6-[2-methoxy-4-(methoxymethoxy)phenyl]-2,2-dimethyl-3-oxo-1,4-dihydroquinolin-5-yl]methyl 5-methylthiophene-2-carboxylate
CID 58337215
5-[(3-ethynylphenoxy)methyl]-6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline
CID 58026963
5-[(5-fluoro-2-methylphenoxy)methyl]-6-[2-methoxy-5-[(4-methoxyphenyl)methoxy]phenyl]-2,2,4-trimethyl-1H-quinoline
CID 58026832
[6-(5-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methyl 4-methoxybenzoate
CID 58026725
5-[(5-fluoro-2-methylphenoxy)methyl]-6-[2-methoxy-5-[(4-methylphenyl)methoxy]phenyl]-2,2,4-trimethyl-1H-quinoline
CID 58026961
7-(5-fluoro-2-methoxyphenyl)-1,3,3-trimethyl-8-[[(3E)-penta-1,3-dien-3-yl]oxymethyl]-4H-quinoxalin-2-one
CID 143539590
6-(4-fluoro-2-methoxyphenyl)-5-[(4-fluorophenoxy)methyl]-2,2,4-trimethyl-1H-quinoline;6-(4-fluoro-2-methoxyphenyl)-5-[(4-methoxyphenoxy)methyl]-2,2,4-trimethyl-1H-quinoline
CID 160908784
2-[2-[[6-(5-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]ethanol
CID 58027183
2-fluoro-1-methoxy-4-[(3-methylphenoxy)methyl]benzene
CID 60627922
5-[(3,5-difluorophenoxy)methyl]-6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline
CID 58026764
3-[5-[(5-fluoro-2-methylphenoxy)methyl]-2,2,4-trimethyl-1H-quinolin-6-yl]-4-methoxyphenol
CID 16660653
[4-[5-[(5-fluoro-2-methylphenoxy)methyl]-2,2-dimethyl-3-oxo-1,4-dihydroquinoxalin-6-yl]-3-methoxyphenyl] pyridine-3-carboxylate;molecular hydrogen
CID 143777202

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-5-[(3-methylphenoxy)methyl]-1,4-dihydroquinolin-3-one?
The IUPAC name of 6-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-5-[(3-methylphenoxy)methyl]-1,4-dihydroquinolin-3-one (CID 147443993) is 6-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-5-[(3-methylphenoxy)methyl]-1,4-dihydroquinolin-3-one.
What is the SMILES notation for 6-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-5-[(3-methylphenoxy)methyl]-1,4-dihydroquinolin-3-one?
The canonical SMILES for 6-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-5-[(3-methylphenoxy)methyl]-1,4-dihydroquinolin-3-one is COc1ccc(F)cc1-c1ccc2c(c1COc1cccc(C)c1)CC(=O)C(C)(C)N2.
What is the InChIKey of 6-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-5-[(3-methylphenoxy)methyl]-1,4-dihydroquinolin-3-one?
The InChIKey is DWTMKGFXMPQZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FNO3/c1-16-6-5-7-18(12-16)31-15-22-19(21-13-17(27)8-11-24(21)30-4)9-10-23-20(22)14-25(29)26(2,3)28-23/h5-13,28H,14-15H2,1-4H3.
What are the key properties of 6-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-5-[(3-methylphenoxy)methyl]-1,4-dihydroquinolin-3-one?
6-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-5-[(3-methylphenoxy)methyl]-1,4-dihydroquinolin-3-one has a molecular weight of 419.50 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-5-[(3-methylphenoxy)methyl]-1,4-dihydroquinolin-3-one is sourced from PubChem (CID 147443993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).