4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(trifluoromethyl)benzamide

C29H20ClF3N2O4 — CID 59813855

IUPAC4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(trifluoromethyl)benzamide
SMILESCOc1cc2nccc(Oc3ccc4c(NC(=O)c5ccc(Cl)c(C(F)(F)F)c5)cccc4c3)c2cc1OC
InChIInChI=1S/C29H20ClF3N2O4/c1-37-26-14-20-24(15-27(26)38-2)34-11-10-25(20)39-18-7-8-19-16(12-18)4-3-5-23(19)35-28(36)17-6-9-22(30)21(13-17)29(31,32)33/h3-15H,1-2H3,(H,35,36)
InChIKeyFBNDLPJCDZRVMI-UHFFFAOYSA-N
MW552.94 g/mol
LogP8.12
Rot. Bonds6

About 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(trifluoromethyl)benzamide

4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(trifluoromethyl)benzamide (PubChem CID 59813855) has the molecular formula C29H20ClF3N2O4 and a molecular weight of 552.94 g/mol. Its IUPAC name is 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(trifluoromethyl)benzamide
PubChem CID59813855
Molecular FormulaC29H20ClF3N2O4
Molecular Weight552.94 g/mol
Exact Mass552.11
IUPAC Name4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(trifluoromethyl)benzamide
SMILESCOc1cc2nccc(Oc3ccc4c(NC(=O)c5ccc(Cl)c(C(F)(F)F)c5)cccc4c3)c2cc1OC
InChIInChI=1S/C29H20ClF3N2O4/c1-37-26-14-20-24(15-27(26)38-2)34-11-10-25(20)39-18-7-8-19-16(12-18)4-3-5-23(19)35-28(36)17-6-9-22(30)21(13-17)29(31,32)33/h3-15H,1-2H3,(H,35,36)
InChIKeyFBNDLPJCDZRVMI-UHFFFAOYSA-N
XLogP8.12
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.94
LogP ≤ 58.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3,4-dimethylbenzamide
CID 59813296
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-methylbenzamide
CID 59813260
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]pyridine-3-carboxamide
CID 59813488
1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(2-fluorophenyl)urea
CID 59813803
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-2-phenylacetamide
CID 59813522
1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(4-propan-2-ylphenyl)urea
CID 59813824
N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-7-methoxynaphthalen-1-yl]benzamide
CID 11294587
N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 59813683
1-(4-tert-butylphenyl)-3-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]thiourea
CID 59813737
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,6-difluorophenyl]-2-oxoacetamide
CID 175062801
7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 11376060

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(trifluoromethyl)benzamide (CID 59813855) is 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(trifluoromethyl)benzamide is COc1cc2nccc(Oc3ccc4c(NC(=O)c5ccc(Cl)c(C(F)(F)F)c5)cccc4c3)c2cc1OC.
What is the InChIKey of 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is FBNDLPJCDZRVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20ClF3N2O4/c1-37-26-14-20-24(15-27(26)38-2)34-11-10-25(20)39-18-7-8-19-16(12-18)4-3-5-23(19)35-28(36)17-6-9-22(30)21(13-17)29(31,32)33/h3-15H,1-2H3,(H,35,36).
What are the key properties of 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(trifluoromethyl)benzamide?
4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 552.94 g/mol, XLogP of 8.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 59813855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).