N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide

C28H20F2N2O4 — CID 59813365

IUPACN-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide
SMILESCOc1cc2nccc(Oc3ccc4cc(NC(=O)c5cccc(F)c5F)ccc4c3)c2cc1OC
InChIInChI=1S/C28H20F2N2O4/c1-34-25-14-21-23(15-26(25)35-2)31-11-10-24(21)36-19-9-7-16-12-18(8-6-17(16)13-19)32-28(33)20-4-3-5-22(29)27(20)30/h3-15H,1-2H3,(H,32,33)
InChIKeyJPOSYDYQCUQWKB-UHFFFAOYSA-N
MW486.47 g/mol
LogP6.73
Rot. Bonds6

About N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide

N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide (PubChem CID 59813365) has the molecular formula C28H20F2N2O4 and a molecular weight of 486.47 g/mol. Its IUPAC name is N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide
PubChem CID59813365
Molecular FormulaC28H20F2N2O4
Molecular Weight486.47 g/mol
Exact Mass486.14
IUPAC NameN-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide
SMILESCOc1cc2nccc(Oc3ccc4cc(NC(=O)c5cccc(F)c5F)ccc4c3)c2cc1OC
InChIInChI=1S/C28H20F2N2O4/c1-34-25-14-21-23(15-26(25)35-2)31-11-10-24(21)36-19-9-7-16-12-18(8-6-17(16)13-19)32-28(33)20-4-3-5-22(29)27(20)30/h3-15H,1-2H3,(H,32,33)
InChIKeyJPOSYDYQCUQWKB-UHFFFAOYSA-N
XLogP6.73
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.47
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methoxybenzamide
CID 59813624
2,4-dichloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]benzamide
CID 59813761
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-1,3-benzodioxole-4-carboxamide
CID 59813656
1-(2,3-difluorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 11270888
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 59813538
N-(3,4-difluorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxamide
CID 59813469
N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalen-2-yl]-4-methoxythiophene-3-carboxamide
CID 11306678
7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 11376060
1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(2-fluorophenyl)urea
CID 59813803
N-(3,4-dichlorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxamide
CID 59813842
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-3-ethoxythiophene-2-carboxamide
CID 59813597
N-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 54359484

Frequently Asked Questions

What is the IUPAC name of N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide?
The IUPAC name of N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide (CID 59813365) is N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide.
What is the SMILES notation for N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide?
The canonical SMILES for N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide is COc1cc2nccc(Oc3ccc4cc(NC(=O)c5cccc(F)c5F)ccc4c3)c2cc1OC.
What is the InChIKey of N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide?
The InChIKey is JPOSYDYQCUQWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F2N2O4/c1-34-25-14-21-23(15-26(25)35-2)31-11-10-24(21)36-19-9-7-16-12-18(8-6-17(16)13-19)32-28(33)20-4-3-5-22(29)27(20)30/h3-15H,1-2H3,(H,32,33).
What are the key properties of N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide?
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide has a molecular weight of 486.47 g/mol, XLogP of 6.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide is sourced from PubChem (CID 59813365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).