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

C24H29N3O4 — CID 95349499

IUPACN-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
SMILESC[C@@H]1CN(Cc2cccc(CNC(=O)COc3ccc4c(c3)CCC(=O)N4)c2)CCO1
InChIInChI=1S/C24H29N3O4/c1-17-14-27(9-10-30-17)15-19-4-2-3-18(11-19)13-25-24(29)16-31-21-6-7-22-20(12-21)5-8-23(28)26-22/h2-4,6-7,11-12,17H,5,8-10,13-16H2,1H3,(H,25,29)(H,26,28)/t17-/m1/s1
InChIKeyPHOQMTMJGUXRDG-QGZVFWFLSA-N
MW423.51 g/mol
LogP2.49
Rot. Bonds7

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

N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide (PubChem CID 95349499) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
PubChem CID95349499
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
SMILESC[C@@H]1CN(Cc2cccc(CNC(=O)COc3ccc4c(c3)CCC(=O)N4)c2)CCO1
InChIInChI=1S/C24H29N3O4/c1-17-14-27(9-10-30-17)15-19-4-2-3-18(11-19)13-25-24(29)16-31-21-6-7-22-20(12-21)5-8-23(28)26-22/h2-4,6-7,11-12,17H,5,8-10,13-16H2,1H3,(H,25,29)(H,26,28)/t17-/m1/s1
InChIKeyPHOQMTMJGUXRDG-QGZVFWFLSA-N
XLogP2.49
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 55877817
N-[(6-methoxynaphthalen-2-yl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 134050875
N-ethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 47157896
2-methyl-N-[2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methylamino]-2-oxoethyl]butanamide
CID 47900404
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide
CID 56552754
1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea
CID 60586672
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
CID 55972180
6-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 94014711
(4R)-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 98798763
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119864272
(Z)-2-methyl-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]pent-2-enamide
CID 94820446
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2,3-dihydroindole-1-carboxamide
CID 47744242

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The IUPAC name of N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide (CID 95349499) is N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide.
What is the SMILES notation for N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The canonical SMILES for N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide is C[C@@H]1CN(Cc2cccc(CNC(=O)COc3ccc4c(c3)CCC(=O)N4)c2)CCO1.
What is the InChIKey of N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The InChIKey is PHOQMTMJGUXRDG-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-17-14-27(9-10-30-17)15-19-4-2-3-18(11-19)13-25-24(29)16-31-21-6-7-22-20(12-21)5-8-23(28)26-22/h2-4,6-7,11-12,17H,5,8-10,13-16H2,1H3,(H,25,29)(H,26,28)/t17-/m1/s1.
What are the key properties of N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide has a molecular weight of 423.51 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide is sourced from PubChem (CID 95349499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).