4-bromo-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzamide

C28H21BrN2O4 — CID 59813443

IUPAC4-bromo-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzamide
SMILESCOc1cc2nccc(Oc3ccc4c(NC(=O)c5ccc(Br)cc5)cccc4c3)c2cc1OC
InChIInChI=1S/C28H21BrN2O4/c1-33-26-15-22-24(16-27(26)34-2)30-13-12-25(22)35-20-10-11-21-18(14-20)4-3-5-23(21)31-28(32)17-6-8-19(29)9-7-17/h3-16H,1-2H3,(H,31,32)
InChIKeyGFNMUDMMFSAIDS-UHFFFAOYSA-N
MW529.39 g/mol
LogP7.21
Rot. Bonds6

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

4-bromo-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzamide (PubChem CID 59813443) has the molecular formula C28H21BrN2O4 and a molecular weight of 529.39 g/mol. Its IUPAC name is 4-bromo-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzamide
PubChem CID59813443
Molecular FormulaC28H21BrN2O4
Molecular Weight529.39 g/mol
Exact Mass528.07
IUPAC Name4-bromo-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzamide
SMILESCOc1cc2nccc(Oc3ccc4c(NC(=O)c5ccc(Br)cc5)cccc4c3)c2cc1OC
InChIInChI=1S/C28H21BrN2O4/c1-33-26-15-22-24(16-27(26)34-2)30-13-12-25(22)35-20-10-11-21-18(14-20)4-3-5-23(21)31-28(32)17-6-8-19(29)9-7-17/h3-16H,1-2H3,(H,31,32)
InChIKeyGFNMUDMMFSAIDS-UHFFFAOYSA-N
XLogP7.21
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.39
LogP ≤ 57.21
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
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]pyridine-3-carboxamide
CID 59813488
4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(trifluoromethyl)benzamide
CID 59813855
N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-7-methoxynaphthalen-1-yl]benzamide
CID 11294587
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-(2-fluorophenyl)urea
CID 59813803
1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(4-propan-2-ylphenyl)urea
CID 59813824
1-(4-tert-butylphenyl)-3-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]thiourea
CID 59813737
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-propan-2-ylnaphthalene-1-carboxamide
CID 24822600
6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 11474276
N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 59813683

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzamide?
The IUPAC name of 4-bromo-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzamide (CID 59813443) is 4-bromo-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzamide?
The canonical SMILES for 4-bromo-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzamide is COc1cc2nccc(Oc3ccc4c(NC(=O)c5ccc(Br)cc5)cccc4c3)c2cc1OC.
What is the InChIKey of 4-bromo-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzamide?
The InChIKey is GFNMUDMMFSAIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21BrN2O4/c1-33-26-15-22-24(16-27(26)34-2)30-13-12-25(22)35-20-10-11-21-18(14-20)4-3-5-23(21)31-28(32)17-6-8-19(29)9-7-17/h3-16H,1-2H3,(H,31,32).
What are the key properties of 4-bromo-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzamide?
4-bromo-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzamide has a molecular weight of 529.39 g/mol, XLogP of 7.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzamide is sourced from PubChem (CID 59813443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).