methyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-2-(oxan-4-yl)acetate

C26H28N2O5 — CID 66912603

IUPACmethyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-2-(oxan-4-yl)acetate
SMILESCOC(=O)C(NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C1CCOCC1
InChIInChI=1S/C26H28N2O5/c1-17-15-20(22-5-3-4-6-23(22)27-17)16-33-21-9-7-19(8-10-21)25(29)28-24(26(30)31-2)18-11-13-32-14-12-18/h3-10,15,18,24H,11-14,16H2,1-2H3,(H,28,29)
InChIKeyVFGQCQIBSLOKAU-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.82
Rot. Bonds7

About methyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-2-(oxan-4-yl)acetate

methyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-2-(oxan-4-yl)acetate (PubChem CID 66912603) has the molecular formula C26H28N2O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is methyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-2-(oxan-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-2-(oxan-4-yl)acetate
PubChem CID66912603
Molecular FormulaC26H28N2O5
Molecular Weight448.52 g/mol
Exact Mass448.20
IUPAC Namemethyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-2-(oxan-4-yl)acetate
SMILESCOC(=O)C(NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C1CCOCC1
InChIInChI=1S/C26H28N2O5/c1-17-15-20(22-5-3-4-6-23(22)27-17)16-33-21-9-7-19(8-10-21)25(29)28-24(26(30)31-2)18-11-13-32-14-12-18/h3-10,15,18,24H,11-14,16H2,1-2H3,(H,28,29)
InChIKeyVFGQCQIBSLOKAU-UHFFFAOYSA-N
XLogP3.82
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-2-(oxan-4-yl)acetate with MolForge

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Related Compounds

N-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-(oxan-4-yl)methyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 90727856
methyl 4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxylate
CID 68858445
2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxan-4-yl]acetic acid
CID 22032786
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
4-[(2-methylquinolin-4-yl)methoxy]-N-[(3R,4R)-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)oxan-4-yl]benzamide
CID 87903103
N-[3-(hydroxyamino)-3-oxo-1-(1-propan-2-ylpiperidin-4-yl)propyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 10185599
N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729958
N-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-piperidin-4-ylmethyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 91355488
N-(2-ethyl-6-methylcyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729941
cis-ethyl (1S,3R)-3-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexane-1-carboxylate
CID 58582396
N-[2-methyl-6-(methylamino)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729957
N-[2-(dimethylamino)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729939

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-2-(oxan-4-yl)acetate?
The IUPAC name of methyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-2-(oxan-4-yl)acetate (CID 66912603) is methyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-2-(oxan-4-yl)acetate.
What is the SMILES notation for methyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-2-(oxan-4-yl)acetate?
The canonical SMILES for methyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-2-(oxan-4-yl)acetate is COC(=O)C(NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C1CCOCC1.
What is the InChIKey of methyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-2-(oxan-4-yl)acetate?
The InChIKey is VFGQCQIBSLOKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5/c1-17-15-20(22-5-3-4-6-23(22)27-17)16-33-21-9-7-19(8-10-21)25(29)28-24(26(30)31-2)18-11-13-32-14-12-18/h3-10,15,18,24H,11-14,16H2,1-2H3,(H,28,29).
What are the key properties of methyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-2-(oxan-4-yl)acetate?
methyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-2-(oxan-4-yl)acetate has a molecular weight of 448.52 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-2-(oxan-4-yl)acetate is sourced from PubChem (CID 66912603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).