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

C29H21F3N2O5 — CID 11387053

IUPAC7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4ccc(C(=O)Nc5ccc(OC(F)(F)F)cc5)cc4c3)c2cc1OC
InChIInChI=1S/C29H21F3N2O5/c1-36-26-15-23-24(16-27(26)37-2)33-12-11-25(23)38-22-8-5-17-3-4-18(13-19(17)14-22)28(35)34-20-6-9-21(10-7-20)39-29(30,31)32/h3-16H,1-2H3,(H,34,35)
InChIKeyVXZTZUGPXJFFNE-UHFFFAOYSA-N
MW534.49 g/mol
LogP7.35
Rot. Bonds7

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

7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide (PubChem CID 11387053) 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-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
PubChem CID11387053
Molecular FormulaC29H21F3N2O5
Molecular Weight534.49 g/mol
Exact Mass534.14
IUPAC Name7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4ccc(C(=O)Nc5ccc(OC(F)(F)F)cc5)cc4c3)c2cc1OC
InChIInChI=1S/C29H21F3N2O5/c1-36-26-15-23-24(16-27(26)37-2)33-12-11-25(23)38-22-8-5-17-3-4-18(13-19(17)14-22)28(35)34-20-6-9-21(10-7-20)39-29(30,31)32/h3-16H,1-2H3,(H,34,35)
InChIKeyVXZTZUGPXJFFNE-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-[3-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 11376060
methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate
CID 22132633
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-[4-(trifluoromethoxy)phenyl]methanone
CID 22132745
N-(3,4-difluorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxamide
CID 59813469
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide
CID 59813365
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide
CID 22132777
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methoxybenzamide
CID 59813624
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 59813538
N-benzyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-2-carboxamide
CID 67520391
1-[4-[7-[7-(2-hydroxyhydrazinyl)-7-oxoheptoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 175608816
2,4-dichloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]benzamide
CID 59813761

Frequently Asked Questions

What is the IUPAC name of 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide?
The IUPAC name of 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide (CID 11387053) is 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide is COc1cc2nccc(Oc3ccc4ccc(C(=O)Nc5ccc(OC(F)(F)F)cc5)cc4c3)c2cc1OC.
What is the InChIKey of 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide?
The InChIKey is VXZTZUGPXJFFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F3N2O5/c1-36-26-15-23-24(16-27(26)37-2)33-12-11-25(23)38-22-8-5-17-3-4-18(13-19(17)14-22)28(35)34-20-6-9-21(10-7-20)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-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide?
7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[4-(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-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 11387053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).