7-(6,7-dimethoxyquinolin-4-yl)oxy-3-[4-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxamide

C28H20F3N3O4 — CID 142776505

IUPAC7-(6,7-dimethoxyquinolin-4-yl)oxy-3-[4-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4cc(-c5cc(C(F)(F)F)ccn5)c(C(N)=O)cc4c3)c2cc1OC
InChIInChI=1S/C28H20F3N3O4/c1-36-25-13-21-23(14-26(25)37-2)34-8-6-24(21)38-18-4-3-15-10-19(20(27(32)35)11-16(15)9-18)22-12-17(5-7-33-22)28(29,30)31/h3-14H,1-2H3,(H2,32,35)
InChIKeyWXHPMKQKAXWQGW-UHFFFAOYSA-N
MW519.48 g/mol
LogP6.38
Rot. Bonds6

About 7-(6,7-dimethoxyquinolin-4-yl)oxy-3-[4-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxamide

7-(6,7-dimethoxyquinolin-4-yl)oxy-3-[4-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxamide (PubChem CID 142776505) has the molecular formula C28H20F3N3O4 and a molecular weight of 519.48 g/mol. Its IUPAC name is 7-(6,7-dimethoxyquinolin-4-yl)oxy-3-[4-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name7-(6,7-dimethoxyquinolin-4-yl)oxy-3-[4-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxamide
PubChem CID142776505
Molecular FormulaC28H20F3N3O4
Molecular Weight519.48 g/mol
Exact Mass519.14
IUPAC Name7-(6,7-dimethoxyquinolin-4-yl)oxy-3-[4-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4cc(-c5cc(C(F)(F)F)ccn5)c(C(N)=O)cc4c3)c2cc1OC
InChIInChI=1S/C28H20F3N3O4/c1-36-25-13-21-23(14-26(25)37-2)34-8-6-24(21)38-18-4-3-15-10-19(20(27(32)35)11-16(15)9-18)22-12-17(5-7-33-22)28(29,30)31/h3-14H,1-2H3,(H2,32,35)
InChIKeyWXHPMKQKAXWQGW-UHFFFAOYSA-N
XLogP6.38
TPSA96.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.48
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 11474276
4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 22936372
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-(trifluoromethyl)phenyl]urea
CID 54212873
6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxylic acid
CID 59813662
7-(6,7-dimethoxyquinolin-4-yl)oxy-2-(2-methoxyethyl)quinoline-4-carboxamide
CID 142776497
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 11387053
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-[4-(trifluoromethoxy)phenyl]methanone
CID 22132745
4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 89132178
7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 11376060
4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide
CID 141404312
7-methoxy-4-[1-(3-methylsulfanylpropyl)indol-5-yl]oxyquinoline-6-carboxamide
CID 22936996

Frequently Asked Questions

What is the IUPAC name of 7-(6,7-dimethoxyquinolin-4-yl)oxy-3-[4-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxamide?
The IUPAC name of 7-(6,7-dimethoxyquinolin-4-yl)oxy-3-[4-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxamide (CID 142776505) is 7-(6,7-dimethoxyquinolin-4-yl)oxy-3-[4-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxamide.
What is the SMILES notation for 7-(6,7-dimethoxyquinolin-4-yl)oxy-3-[4-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxamide?
The canonical SMILES for 7-(6,7-dimethoxyquinolin-4-yl)oxy-3-[4-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxamide is COc1cc2nccc(Oc3ccc4cc(-c5cc(C(F)(F)F)ccn5)c(C(N)=O)cc4c3)c2cc1OC.
What is the InChIKey of 7-(6,7-dimethoxyquinolin-4-yl)oxy-3-[4-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxamide?
The InChIKey is WXHPMKQKAXWQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F3N3O4/c1-36-25-13-21-23(14-26(25)37-2)34-8-6-24(21)38-18-4-3-15-10-19(20(27(32)35)11-16(15)9-18)22-12-17(5-7-33-22)28(29,30)31/h3-14H,1-2H3,(H2,32,35).
What are the key properties of 7-(6,7-dimethoxyquinolin-4-yl)oxy-3-[4-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxamide?
7-(6,7-dimethoxyquinolin-4-yl)oxy-3-[4-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxamide has a molecular weight of 519.48 g/mol, XLogP of 6.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6,7-dimethoxyquinolin-4-yl)oxy-3-[4-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxamide is sourced from PubChem (CID 142776505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).