N-(3,4-dichlorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxamide

C28H19Cl2FN2O4 — CID 59813842

IUPACN-(3,4-dichlorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5ccc(Cl)c(Cl)c5)cccc4c3F)c2cc1OC
InChIInChI=1S/C28H19Cl2FN2O4/c1-35-25-13-19-22(14-26(25)36-2)32-11-10-23(19)37-24-9-7-16-17(27(24)31)4-3-5-18(16)28(34)33-15-6-8-20(29)21(30)12-15/h3-14H,1-2H3,(H,33,34)
InChIKeyJSWGEACVMULIIH-UHFFFAOYSA-N
MW537.37 g/mol
LogP7.90
Rot. Bonds6

About N-(3,4-dichlorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxamide

N-(3,4-dichlorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxamide (PubChem CID 59813842) has the molecular formula C28H19Cl2FN2O4 and a molecular weight of 537.37 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxamide
PubChem CID59813842
Molecular FormulaC28H19Cl2FN2O4
Molecular Weight537.37 g/mol
Exact Mass536.07
IUPAC NameN-(3,4-dichlorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5ccc(Cl)c(Cl)c5)cccc4c3F)c2cc1OC
InChIInChI=1S/C28H19Cl2FN2O4/c1-35-25-13-19-22(14-26(25)36-2)32-11-10-23(19)37-24-9-7-16-17(27(24)31)4-3-5-18(16)28(34)33-15-6-8-20(29)21(30)12-15/h3-14H,1-2H3,(H,33,34)
InChIKeyJSWGEACVMULIIH-UHFFFAOYSA-N
XLogP7.90
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.37
LogP ≤ 57.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dichlorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide
CID 59813324
N-(4-chlorophenyl)-5-fluoro-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide
CID 59813680
N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalen-2-yl]-4-methoxythiophene-3-carboxamide
CID 11306678
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide
CID 59813365
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-fluoro-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
CID 59813342
2,4-dichloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]benzamide
CID 59813761
N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-ethylbenzamide
CID 59864354
N-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 54359484
4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methoxybenzamide
CID 59813624
1-benzyl-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 177251200
4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
CID 24822268
1-(2,6-dichlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 11225457

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxamide (CID 59813842) is N-(3,4-dichlorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxamide is COc1cc2nccc(Oc3ccc4c(C(=O)Nc5ccc(Cl)c(Cl)c5)cccc4c3F)c2cc1OC.
What is the InChIKey of N-(3,4-dichlorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxamide?
The InChIKey is JSWGEACVMULIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19Cl2FN2O4/c1-35-25-13-19-22(14-26(25)36-2)32-11-10-23(19)37-24-9-7-16-17(27(24)31)4-3-5-18(16)28(34)33-15-6-8-20(29)21(30)12-15/h3-14H,1-2H3,(H,33,34).
What are the key properties of N-(3,4-dichlorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxamide?
N-(3,4-dichlorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxamide has a molecular weight of 537.37 g/mol, XLogP of 7.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxamide is sourced from PubChem (CID 59813842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).