6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide

C29H21F3N2O4 — CID 11156617

IUPAC6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5cccc(C(F)(F)F)c5)cccc4c3)c2cc1OC
InChIInChI=1S/C29H21F3N2O4/c1-36-26-15-23-24(16-27(26)37-2)33-12-11-25(23)38-20-9-10-21-17(13-20)5-3-8-22(21)28(35)34-19-7-4-6-18(14-19)29(30,31)32/h3-16H,1-2H3,(H,34,35)
InChIKeyBHNVCIXSNFNBSW-UHFFFAOYSA-N
MW518.49 g/mol
LogP7.47
Rot. Bonds6

About 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide

6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide (PubChem CID 11156617) has the molecular formula C29H21F3N2O4 and a molecular weight of 518.49 g/mol. Its IUPAC name is 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
PubChem CID11156617
Molecular FormulaC29H21F3N2O4
Molecular Weight518.49 g/mol
Exact Mass518.15
IUPAC Name6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5cccc(C(F)(F)F)c5)cccc4c3)c2cc1OC
InChIInChI=1S/C29H21F3N2O4/c1-36-26-15-23-24(16-27(26)37-2)33-12-11-25(23)38-20-9-10-21-17(13-20)5-3-8-22(21)28(35)34-19-7-4-6-18(14-19)29(30,31)32/h3-16H,1-2H3,(H,34,35)
InChIKeyBHNVCIXSNFNBSW-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 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide (CID 11156617) is 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide is COc1cc2nccc(Oc3ccc4c(C(=O)Nc5cccc(C(F)(F)F)c5)cccc4c3)c2cc1OC.
What is the InChIKey of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The InChIKey is BHNVCIXSNFNBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F3N2O4/c1-36-26-15-23-24(16-27(26)37-2)33-12-11-25(23)38-20-9-10-21-17(13-20)5-3-8-22(21)28(35)34-19-7-4-6-18(14-19)29(30,31)32/h3-16H,1-2H3,(H,34,35).
What are the key properties of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-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 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 11156617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).