2-(3,4-difluorophenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide

C25H20F2N2O4 — CID 147952954

IUPAC2-(3,4-difluorophenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)Cc4ccc(F)c(F)c4)cc3)c2cc1OC
InChIInChI=1S/C25H20F2N2O4/c1-31-23-13-18-21(14-24(23)32-2)28-10-9-22(18)33-17-6-4-16(5-7-17)29-25(30)12-15-3-8-19(26)20(27)11-15/h3-11,13-14H,12H2,1-2H3,(H,29,30)
InChIKeyINZBMAGGYFFZRZ-UHFFFAOYSA-N
MW450.44 g/mol
LogP5.50
Rot. Bonds7

About 2-(3,4-difluorophenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide

2-(3,4-difluorophenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide (PubChem CID 147952954) has the molecular formula C25H20F2N2O4 and a molecular weight of 450.44 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
PubChem CID147952954
Molecular FormulaC25H20F2N2O4
Molecular Weight450.44 g/mol
Exact Mass450.14
IUPAC Name2-(3,4-difluorophenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)Cc4ccc(F)c(F)c4)cc3)c2cc1OC
InChIInChI=1S/C25H20F2N2O4/c1-31-23-13-18-21(14-24(23)32-2)28-10-9-22(18)33-17-6-4-16(5-7-17)29-25(30)12-15-3-8-19(26)20(27)11-15/h3-11,13-14H,12H2,1-2H3,(H,29,30)
InChIKeyINZBMAGGYFFZRZ-UHFFFAOYSA-N
XLogP5.50
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.44
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide (CID 147952954) is 2-(3,4-difluorophenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide is COc1cc2nccc(Oc3ccc(NC(=O)Cc4ccc(F)c(F)c4)cc3)c2cc1OC.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide?
The InChIKey is INZBMAGGYFFZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N2O4/c1-31-23-13-18-21(14-24(23)32-2)28-10-9-22(18)33-17-6-4-16(5-7-17)29-25(30)12-15-3-8-19(26)20(27)11-15/h3-11,13-14H,12H2,1-2H3,(H,29,30).
What are the key properties of 2-(3,4-difluorophenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide?
2-(3,4-difluorophenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide has a molecular weight of 450.44 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide is sourced from PubChem (CID 147952954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).