2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide

C25H25N3O6 — CID 70687766

IUPAC2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1CC(=O)Nc1noc(C)c1C
InChIInChI=1S/C25H25N3O6/c1-14-15(2)34-28-25(14)27-24(29)10-16-6-7-17(11-21(16)30-3)33-20-8-9-26-19-13-23(32-5)22(31-4)12-18(19)20/h6-9,11-13H,10H2,1-5H3,(H,27,28,29)
InChIKeyCLNJNVQBKCEOLA-UHFFFAOYSA-N
MW463.49 g/mol
LogP4.84
Rot. Bonds8

About 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide

2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide (PubChem CID 70687766) has the molecular formula C25H25N3O6 and a molecular weight of 463.49 g/mol. Its IUPAC name is 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide
PubChem CID70687766
Molecular FormulaC25H25N3O6
Molecular Weight463.49 g/mol
Exact Mass463.17
IUPAC Name2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1CC(=O)Nc1noc(C)c1C
InChIInChI=1S/C25H25N3O6/c1-14-15(2)34-28-25(14)27-24(29)10-16-6-7-17(11-21(16)30-3)33-20-8-9-26-19-13-23(32-5)22(31-4)12-18(19)20/h6-9,11-13H,10H2,1-5H3,(H,27,28,29)
InChIKeyCLNJNVQBKCEOLA-UHFFFAOYSA-N
XLogP4.84
TPSA104.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide (CID 70687766) is 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide is COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1CC(=O)Nc1noc(C)c1C.
What is the InChIKey of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is CLNJNVQBKCEOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O6/c1-14-15(2)34-28-25(14)27-24(29)10-16-6-7-17(11-21(16)30-3)33-20-8-9-26-19-13-23(32-5)22(31-4)12-18(19)20/h6-9,11-13H,10H2,1-5H3,(H,27,28,29).
What are the key properties of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide?
2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 463.49 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 70687766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).