1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(2-fluorophenyl)urea

C28H22FN3O4 — CID 59813803

IUPAC1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(2-fluorophenyl)urea
SMILESCOc1cc2nccc(Oc3ccc4c(NC(=O)Nc5ccccc5F)cccc4c3)c2cc1OC
InChIInChI=1S/C28H22FN3O4/c1-34-26-15-20-24(16-27(26)35-2)30-13-12-25(20)36-18-10-11-19-17(14-18)6-5-9-22(19)31-28(33)32-23-8-4-3-7-21(23)29/h3-16H,1-2H3,(H2,31,32,33)
InChIKeyGNWZUUCZVKYIBQ-UHFFFAOYSA-N
MW483.50 g/mol
LogP6.98
Rot. Bonds6

About 1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(2-fluorophenyl)urea

1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(2-fluorophenyl)urea (PubChem CID 59813803) has the molecular formula C28H22FN3O4 and a molecular weight of 483.50 g/mol. Its IUPAC name is 1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(2-fluorophenyl)urea
PubChem CID59813803
Molecular FormulaC28H22FN3O4
Molecular Weight483.50 g/mol
Exact Mass483.16
IUPAC Name1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(2-fluorophenyl)urea
SMILESCOc1cc2nccc(Oc3ccc4c(NC(=O)Nc5ccccc5F)cccc4c3)c2cc1OC
InChIInChI=1S/C28H22FN3O4/c1-34-26-15-20-24(16-27(26)35-2)30-13-12-25(20)36-18-10-11-19-17(14-18)6-5-9-22(19)31-28(33)32-23-8-4-3-7-21(23)29/h3-16H,1-2H3,(H2,31,32,33)
InChIKeyGNWZUUCZVKYIBQ-UHFFFAOYSA-N
XLogP6.98
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.50
LogP ≤ 56.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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)oxynaphthalen-1-yl]-2-phenylacetamide
CID 59813522
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3,4-dimethylbenzamide
CID 59813296
4-bromo-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzamide
CID 59813443
1-(2,3-difluorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 11270888
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
1-benzyl-3-[6-(6-hydroxy-7-methoxyquinolin-4-yl)oxynaphthalen-1-yl]urea
CID 143083833
4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(trifluoromethyl)benzamide
CID 59813855
1-(4-tert-butylphenyl)-3-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]thiourea
CID 59813737
6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 11474276
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide
CID 59813365

Frequently Asked Questions

What is the IUPAC name of 1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(2-fluorophenyl)urea (CID 59813803) is 1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(2-fluorophenyl)urea is COc1cc2nccc(Oc3ccc4c(NC(=O)Nc5ccccc5F)cccc4c3)c2cc1OC.
What is the InChIKey of 1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(2-fluorophenyl)urea?
The InChIKey is GNWZUUCZVKYIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN3O4/c1-34-26-15-20-24(16-27(26)35-2)30-13-12-25(20)36-18-10-11-19-17(14-18)6-5-9-22(19)31-28(33)32-23-8-4-3-7-21(23)29/h3-16H,1-2H3,(H2,31,32,33).
What are the key properties of 1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(2-fluorophenyl)urea?
1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(2-fluorophenyl)urea has a molecular weight of 483.50 g/mol, XLogP of 6.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 59813803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).