N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide

C24H28FN3O4 — CID 55877817

IUPACN-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
SMILESCC1CN(c2ccc(CNC(=O)COc3ccc4c(c3)CCC(=O)N4)cc2F)CC(C)O1
InChIInChI=1S/C24H28FN3O4/c1-15-12-28(13-16(2)32-15)22-7-3-17(9-20(22)25)11-26-24(30)14-31-19-5-6-21-18(10-19)4-8-23(29)27-21/h3,5-7,9-10,15-16H,4,8,11-14H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyIQHFQNJTMOMFBR-UHFFFAOYSA-N
MW441.50 g/mol
LogP3.02
Rot. Bonds6

About N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide

N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide (PubChem CID 55877817) has the molecular formula C24H28FN3O4 and a molecular weight of 441.50 g/mol. Its IUPAC name is N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
PubChem CID55877817
Molecular FormulaC24H28FN3O4
Molecular Weight441.50 g/mol
Exact Mass441.21
IUPAC NameN-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
SMILESCC1CN(c2ccc(CNC(=O)COc3ccc4c(c3)CCC(=O)N4)cc2F)CC(C)O1
InChIInChI=1S/C24H28FN3O4/c1-15-12-28(13-16(2)32-15)22-7-3-17(9-20(22)25)11-26-24(30)14-31-19-5-6-21-18(10-19)4-8-23(29)27-21/h3,5-7,9-10,15-16H,4,8,11-14H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyIQHFQNJTMOMFBR-UHFFFAOYSA-N
XLogP3.02
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-methoxynaphthalen-2-yl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 134050875
N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 95349499
N-ethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 47157896
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 24652368
4-carbamothioyl-N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]benzamide
CID 94840333
methyl 2,4-difluoro-5-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzoate
CID 47022018
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboxamide
CID 60551160
1-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-[(2R)-2-hydroxypropyl]urea
CID 94679072
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-thiophen-2-ylacetamide
CID 55877812
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]cyclobutanecarboxamide
CID 47062619
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(4-methylphenoxy)propanamide
CID 55877177
N-[4-(4-fluorophenoxy)butyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 33109872

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The IUPAC name of N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide (CID 55877817) is N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide.
What is the SMILES notation for N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The canonical SMILES for N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide is CC1CN(c2ccc(CNC(=O)COc3ccc4c(c3)CCC(=O)N4)cc2F)CC(C)O1.
What is the InChIKey of N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The InChIKey is IQHFQNJTMOMFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O4/c1-15-12-28(13-16(2)32-15)22-7-3-17(9-20(22)25)11-26-24(30)14-31-19-5-6-21-18(10-19)4-8-23(29)27-21/h3,5-7,9-10,15-16H,4,8,11-14H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide has a molecular weight of 441.50 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide is sourced from PubChem (CID 55877817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).