7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide

C29H21F3N2O5 — CID 11376060

IUPAC7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4ccc(C(=O)Nc5cccc(OC(F)(F)F)c5)cc4c3)c2cc1OC
InChIInChI=1S/C29H21F3N2O5/c1-36-26-15-23-24(16-27(26)37-2)33-11-10-25(23)38-21-9-8-17-6-7-18(12-19(17)13-21)28(35)34-20-4-3-5-22(14-20)39-29(30,31)32/h3-16H,1-2H3,(H,34,35)
InChIKeyDDGNILGZCUVTJC-UHFFFAOYSA-N
MW534.49 g/mol
LogP7.35
Rot. Bonds7

About 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide

7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide (PubChem CID 11376060) has the molecular formula C29H21F3N2O5 and a molecular weight of 534.49 g/mol. Its IUPAC name is 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
PubChem CID11376060
Molecular FormulaC29H21F3N2O5
Molecular Weight534.49 g/mol
Exact Mass534.14
IUPAC Name7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4ccc(C(=O)Nc5cccc(OC(F)(F)F)c5)cc4c3)c2cc1OC
InChIInChI=1S/C29H21F3N2O5/c1-36-26-15-23-24(16-27(26)37-2)33-11-10-25(23)38-21-9-8-17-6-7-18(12-19(17)13-21)28(35)34-20-4-3-5-22(14-20)39-29(30,31)32/h3-16H,1-2H3,(H,34,35)
InChIKeyDDGNILGZCUVTJC-UHFFFAOYSA-N
XLogP7.35
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.49
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 11387053
N-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 54359484
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide
CID 59813365
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-[4-(trifluoromethoxy)phenyl]methanone
CID 22132745
3-methoxy-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38033064
N-(3,4-difluorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxamide
CID 59813469
methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate
CID 22132633
methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate
CID 71377074
N-benzyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-2-carboxamide
CID 67520391
4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(trifluoromethyl)benzamide
CID 59813855
4-bromo-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzamide
CID 59813443
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3,4-dimethylbenzamide
CID 59813296

Frequently Asked Questions

What is the IUPAC name of 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide?
The IUPAC name of 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide (CID 11376060) is 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide is COc1cc2nccc(Oc3ccc4ccc(C(=O)Nc5cccc(OC(F)(F)F)c5)cc4c3)c2cc1OC.
What is the InChIKey of 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide?
The InChIKey is DDGNILGZCUVTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F3N2O5/c1-36-26-15-23-24(16-27(26)37-2)33-11-10-25(23)38-21-9-8-17-6-7-18(12-19(17)13-21)28(35)34-20-4-3-5-22(14-20)39-29(30,31)32/h3-16H,1-2H3,(H,34,35).
What are the key properties of 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide?
7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide has a molecular weight of 534.49 g/mol, XLogP of 7.35, 7 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-N-[3-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 11376060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).