7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-1H-quinolin-2-one

C25H24N2O2 — CID 122180474

IUPAC7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-1H-quinolin-2-one
SMILESCN(Cc1ccccc1)Cc1ccc(COc2ccc3ccc(=O)[nH]c3c2)cc1
InChIInChI=1S/C25H24N2O2/c1-27(16-19-5-3-2-4-6-19)17-20-7-9-21(10-8-20)18-29-23-13-11-22-12-14-25(28)26-24(22)15-23/h2-15H,16-18H2,1H3,(H,26,28)
InChIKeyNEDWFNNKVTXYON-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.74
Rot. Bonds7

About 7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-1H-quinolin-2-one

7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-1H-quinolin-2-one (PubChem CID 122180474) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-1H-quinolin-2-one
PubChem CID122180474
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-1H-quinolin-2-one
SMILESCN(Cc1ccccc1)Cc1ccc(COc2ccc3ccc(=O)[nH]c3c2)cc1
InChIInChI=1S/C25H24N2O2/c1-27(16-19-5-3-2-4-6-19)17-20-7-9-21(10-8-20)18-29-23-13-11-22-12-14-25(28)26-24(22)15-23/h2-15H,16-18H2,1H3,(H,26,28)
InChIKeyNEDWFNNKVTXYON-UHFFFAOYSA-N
XLogP4.74
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-(3-Methoxyphenyl)-3-phenyl-2-propenamide
CID 795596
AAE-M-PBP-amine
CID 24763223
N-[3-[[4-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]phenyl]benzamide
CID 137553159
N-(3-Methoxy-phenyl)-4-(4-phenyl-piperazin-1-ylmethyl)-benzamide
CID 653541
US9205085, Msx-205
CID 23656764
7-Methoxy-4-methylquinolin-2-ol
CID 761548
6-Benzyl-3-(3-phenylmethoxyphenyl)-1,4-dihydropyrido[4,3-d]pyrimidine-2,7-dione
CID 137348721
Opc 4392
CID 163839
1,2-Dihydro-N-methyl-4-(4-phenoxybutoxy)quinolin-2-one
CID 42631142
N-(3-methoxyphenyl)-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide
CID 9550180
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3,3-bis(4-methylphenyl)-2-propenamide
CID 10215937
1-[4-[N-[6-(4-methylphenyl)-2H-1-benzopyran-3-carbonyl]-amino]benzyl]-1-methylpiperidinium iodide
CID 10555236

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-1H-quinolin-2-one?
The IUPAC name of 7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-1H-quinolin-2-one (CID 122180474) is 7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-1H-quinolin-2-one.
What is the SMILES notation for 7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-1H-quinolin-2-one?
The canonical SMILES for 7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-1H-quinolin-2-one is CN(Cc1ccccc1)Cc1ccc(COc2ccc3ccc(=O)[nH]c3c2)cc1.
What is the InChIKey of 7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-1H-quinolin-2-one?
The InChIKey is NEDWFNNKVTXYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-27(16-19-5-3-2-4-6-19)17-20-7-9-21(10-8-20)18-29-23-13-11-22-12-14-25(28)26-24(22)15-23/h2-15H,16-18H2,1H3,(H,26,28).
What are the key properties of 7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-1H-quinolin-2-one?
7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-1H-quinolin-2-one has a molecular weight of 384.48 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-1H-quinolin-2-one is sourced from PubChem (CID 122180474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).