2,4-dichloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]benzamide

C28H20Cl2N2O4 — CID 59813761

IUPAC2,4-dichloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]benzamide
SMILESCOc1cc2nccc(Oc3ccc4cc(NC(=O)c5ccc(Cl)cc5Cl)ccc4c3)c2cc1OC
InChIInChI=1S/C28H20Cl2N2O4/c1-34-26-14-22-24(15-27(26)35-2)31-10-9-25(22)36-20-7-4-16-11-19(6-3-17(16)12-20)32-28(33)21-8-5-18(29)13-23(21)30/h3-15H,1-2H3,(H,32,33)
InChIKeyXCXFTFBTBWKGGJ-UHFFFAOYSA-N
MW519.38 g/mol
LogP7.76
Rot. Bonds6

About 2,4-dichloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]benzamide

2,4-dichloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]benzamide (PubChem CID 59813761) has the molecular formula C28H20Cl2N2O4 and a molecular weight of 519.38 g/mol. Its IUPAC name is 2,4-dichloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]benzamide
PubChem CID59813761
Molecular FormulaC28H20Cl2N2O4
Molecular Weight519.38 g/mol
Exact Mass518.08
IUPAC Name2,4-dichloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]benzamide
SMILESCOc1cc2nccc(Oc3ccc4cc(NC(=O)c5ccc(Cl)cc5Cl)ccc4c3)c2cc1OC
InChIInChI=1S/C28H20Cl2N2O4/c1-34-26-14-22-24(15-27(26)35-2)31-10-9-25(22)36-20-7-4-16-11-19(6-3-17(16)12-20)32-28(33)21-8-5-18(29)13-23(21)30/h3-15H,1-2H3,(H,32,33)
InChIKeyXCXFTFBTBWKGGJ-UHFFFAOYSA-N
XLogP7.76
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.38
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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]-2,3-difluorobenzamide
CID 59813365
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 59813538
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-1,3-benzodioxole-4-carboxamide
CID 59813656
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-3-ethoxythiophene-2-carboxamide
CID 59813597
N-(3,4-difluorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxamide
CID 59813469
5-chloro-N-[7-(6-hydroxy-7-methoxyquinolin-4-yl)oxynaphthalen-2-yl]pyridine-3-carboxamide
CID 143083672
4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
CID 24822268
7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 11387053
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate
CID 22132633
(Z)-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-3-(methylideneamino)-2-methylsulfanylbut-2-enamide
CID 143083798

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]benzamide (CID 59813761) is 2,4-dichloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]benzamide is COc1cc2nccc(Oc3ccc4cc(NC(=O)c5ccc(Cl)cc5Cl)ccc4c3)c2cc1OC.
What is the InChIKey of 2,4-dichloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]benzamide?
The InChIKey is XCXFTFBTBWKGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Cl2N2O4/c1-34-26-14-22-24(15-27(26)35-2)31-10-9-25(22)36-20-7-4-16-11-19(6-3-17(16)12-20)32-28(33)21-8-5-18(29)13-23(21)30/h3-15H,1-2H3,(H,32,33).
What are the key properties of 2,4-dichloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]benzamide?
2,4-dichloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]benzamide has a molecular weight of 519.38 g/mol, XLogP of 7.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]benzamide is sourced from PubChem (CID 59813761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).