2-[6-[2-[4-[[2-(6-methoxy-2-methylquinolin-4-yl)oxyacetyl]amino]-2-methylphenyl]ethoxy]-2-methylquinolin-4-yl]oxy-N-(4-methylphenyl)acetamide

C41H40N4O6 — CID 145208170

IUPAC2-[6-[2-[4-[[2-(6-methoxy-2-methylquinolin-4-yl)oxyacetyl]amino]-2-methylphenyl]ethoxy]-2-methylquinolin-4-yl]oxy-N-(4-methylphenyl)acetamide
SMILESCOc1ccc2nc(C)cc(OCC(=O)Nc3ccc(CCOc4ccc5nc(C)cc(OCC(=O)Nc6ccc(C)cc6)c5c4)c(C)c3)c2c1
InChIInChI=1S/C41H40N4O6/c1-25-6-9-30(10-7-25)44-40(46)23-50-39-20-28(4)43-37-15-13-33(22-35(37)39)49-17-16-29-8-11-31(18-26(29)2)45-41(47)24-51-38-19-27(3)42-36-14-12-32(48-5)21-34(36)38/h6-15,18-22H,16-17,23-24H2,1-5H3,(H,44,46)(H,45,47)
InChIKeyAQUKKJWRLAQNBL-UHFFFAOYSA-N
MW684.79 g/mol
LogP7.68
Rot. Bonds13

About 2-[6-[2-[4-[[2-(6-methoxy-2-methylquinolin-4-yl)oxyacetyl]amino]-2-methylphenyl]ethoxy]-2-methylquinolin-4-yl]oxy-N-(4-methylphenyl)acetamide

2-[6-[2-[4-[[2-(6-methoxy-2-methylquinolin-4-yl)oxyacetyl]amino]-2-methylphenyl]ethoxy]-2-methylquinolin-4-yl]oxy-N-(4-methylphenyl)acetamide (PubChem CID 145208170) has the molecular formula C41H40N4O6 and a molecular weight of 684.79 g/mol. Its IUPAC name is 2-[6-[2-[4-[[2-(6-methoxy-2-methylquinolin-4-yl)oxyacetyl]amino]-2-methylphenyl]ethoxy]-2-methylquinolin-4-yl]oxy-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-[2-[4-[[2-(6-methoxy-2-methylquinolin-4-yl)oxyacetyl]amino]-2-methylphenyl]ethoxy]-2-methylquinolin-4-yl]oxy-N-(4-methylphenyl)acetamide
PubChem CID145208170
Molecular FormulaC41H40N4O6
Molecular Weight684.79 g/mol
Exact Mass684.29
IUPAC Name2-[6-[2-[4-[[2-(6-methoxy-2-methylquinolin-4-yl)oxyacetyl]amino]-2-methylphenyl]ethoxy]-2-methylquinolin-4-yl]oxy-N-(4-methylphenyl)acetamide
SMILESCOc1ccc2nc(C)cc(OCC(=O)Nc3ccc(CCOc4ccc5nc(C)cc(OCC(=O)Nc6ccc(C)cc6)c5c4)c(C)c3)c2c1
InChIInChI=1S/C41H40N4O6/c1-25-6-9-30(10-7-25)44-40(46)23-50-39-20-28(4)43-37-15-13-33(22-35(37)39)49-17-16-29-8-11-31(18-26(29)2)45-41(47)24-51-38-19-27(3)42-36-14-12-32(48-5)21-34(36)38/h6-15,18-22H,16-17,23-24H2,1-5H3,(H,44,46)(H,45,47)
InChIKeyAQUKKJWRLAQNBL-UHFFFAOYSA-N
XLogP7.68
TPSA120.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.79
LogP ≤ 57.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[6-[2-[4-[[2-(6-methoxy-2-methylquinolin-4-yl)oxyacetyl]amino]-2-methylphenyl]ethoxy]-2-methylquinolin-4-yl]oxy-N-(4-methylphenyl)acetamide with MolForge

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Related Compounds

2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 112787491
2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 112787517
2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-(4-methylphenyl)ethanone
CID 162667689
N-(3-methoxyphenyl)-2-(2-methylquinolin-4-yl)oxyacetamide
CID 99835658
N-(3,5-dimethylphenyl)-2-(2-methyl-6-phenylmethoxyquinolin-4-yl)oxyacetamide
CID 155925750
N-[(2S)-butan-2-yl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
CID 40711295
N-(4-methoxy-2-methylquinolin-6-yl)-2-[2-[(4-methoxy-2-methylquinolin-6-yl)amino]-2-oxoethoxy]acetamide
CID 44533592
2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-phenylethanone
CID 162664426
methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methoxyquinoline-2-carboxylate
CID 53113052
methyl 6-methoxy-4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]quinoline-2-carboxylate
CID 53113031
2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-(2-methoxyphenyl)ethanone
CID 162677128
2-(2,8-dimethylquinolin-4-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 100828867

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-[4-[[2-(6-methoxy-2-methylquinolin-4-yl)oxyacetyl]amino]-2-methylphenyl]ethoxy]-2-methylquinolin-4-yl]oxy-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[6-[2-[4-[[2-(6-methoxy-2-methylquinolin-4-yl)oxyacetyl]amino]-2-methylphenyl]ethoxy]-2-methylquinolin-4-yl]oxy-N-(4-methylphenyl)acetamide (CID 145208170) is 2-[6-[2-[4-[[2-(6-methoxy-2-methylquinolin-4-yl)oxyacetyl]amino]-2-methylphenyl]ethoxy]-2-methylquinolin-4-yl]oxy-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[6-[2-[4-[[2-(6-methoxy-2-methylquinolin-4-yl)oxyacetyl]amino]-2-methylphenyl]ethoxy]-2-methylquinolin-4-yl]oxy-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[6-[2-[4-[[2-(6-methoxy-2-methylquinolin-4-yl)oxyacetyl]amino]-2-methylphenyl]ethoxy]-2-methylquinolin-4-yl]oxy-N-(4-methylphenyl)acetamide is COc1ccc2nc(C)cc(OCC(=O)Nc3ccc(CCOc4ccc5nc(C)cc(OCC(=O)Nc6ccc(C)cc6)c5c4)c(C)c3)c2c1.
What is the InChIKey of 2-[6-[2-[4-[[2-(6-methoxy-2-methylquinolin-4-yl)oxyacetyl]amino]-2-methylphenyl]ethoxy]-2-methylquinolin-4-yl]oxy-N-(4-methylphenyl)acetamide?
The InChIKey is AQUKKJWRLAQNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H40N4O6/c1-25-6-9-30(10-7-25)44-40(46)23-50-39-20-28(4)43-37-15-13-33(22-35(37)39)49-17-16-29-8-11-31(18-26(29)2)45-41(47)24-51-38-19-27(3)42-36-14-12-32(48-5)21-34(36)38/h6-15,18-22H,16-17,23-24H2,1-5H3,(H,44,46)(H,45,47).
What are the key properties of 2-[6-[2-[4-[[2-(6-methoxy-2-methylquinolin-4-yl)oxyacetyl]amino]-2-methylphenyl]ethoxy]-2-methylquinolin-4-yl]oxy-N-(4-methylphenyl)acetamide?
2-[6-[2-[4-[[2-(6-methoxy-2-methylquinolin-4-yl)oxyacetyl]amino]-2-methylphenyl]ethoxy]-2-methylquinolin-4-yl]oxy-N-(4-methylphenyl)acetamide has a molecular weight of 684.79 g/mol, XLogP of 7.68, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-[4-[[2-(6-methoxy-2-methylquinolin-4-yl)oxyacetyl]amino]-2-methylphenyl]ethoxy]-2-methylquinolin-4-yl]oxy-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 145208170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).