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

C29H21F3N2O4 — CID 11249371

IUPAC7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4ccc(C(=O)Nc5cccc(C(F)(F)F)c5)cc4c3)c2cc1OC
InChIInChI=1S/C29H21F3N2O4/c1-36-26-15-23-24(16-27(26)37-2)33-11-10-25(23)38-22-9-8-17-6-7-18(12-19(17)13-22)28(35)34-21-5-3-4-20(14-21)29(30,31)32/h3-16H,1-2H3,(H,34,35)
InChIKeyVWNWLNGZCBEEIR-UHFFFAOYSA-N
MW518.49 g/mol
LogP7.47
Rot. Bonds6

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

7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide (PubChem CID 11249371) has the molecular formula C29H21F3N2O4 and a molecular weight of 518.49 g/mol. Its IUPAC name is 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
PubChem CID11249371
Molecular FormulaC29H21F3N2O4
Molecular Weight518.49 g/mol
Exact Mass518.15
IUPAC Name7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4ccc(C(=O)Nc5cccc(C(F)(F)F)c5)cc4c3)c2cc1OC
InChIInChI=1S/C29H21F3N2O4/c1-36-26-15-23-24(16-27(26)37-2)33-11-10-25(23)38-22-9-8-17-6-7-18(12-19(17)13-22)28(35)34-21-5-3-4-20(14-21)29(30,31)32/h3-16H,1-2H3,(H,34,35)
InChIKeyVWNWLNGZCBEEIR-UHFFFAOYSA-N
XLogP7.47
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.49
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide (CID 11249371) is 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide is COc1cc2nccc(Oc3ccc4ccc(C(=O)Nc5cccc(C(F)(F)F)c5)cc4c3)c2cc1OC.
What is the InChIKey of 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The InChIKey is VWNWLNGZCBEEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F3N2O4/c1-36-26-15-23-24(16-27(26)37-2)33-11-10-25(23)38-22-9-8-17-6-7-18(12-19(17)13-22)28(35)34-21-5-3-4-20(14-21)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-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide has a molecular weight of 518.49 g/mol, XLogP of 7.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 11249371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).