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

C24H20FN3O4 — CID 11305057

IUPAC1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2-fluorophenyl)urea
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)Nc4ccccc4F)cc3)c2cc1OC
InChIInChI=1S/C24H20FN3O4/c1-30-22-13-17-20(14-23(22)31-2)26-12-11-21(17)32-16-9-7-15(8-10-16)27-24(29)28-19-6-4-3-5-18(19)25/h3-14H,1-2H3,(H2,27,28,29)
InChIKeySFUSDJRVEVLCSW-UHFFFAOYSA-N
MW433.44 g/mol
LogP5.83
Rot. Bonds6

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

1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2-fluorophenyl)urea (PubChem CID 11305057) has the molecular formula C24H20FN3O4 and a molecular weight of 433.44 g/mol. Its IUPAC name is 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2-fluorophenyl)urea
PubChem CID11305057
Molecular FormulaC24H20FN3O4
Molecular Weight433.44 g/mol
Exact Mass433.14
IUPAC Name1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2-fluorophenyl)urea
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)Nc4ccccc4F)cc3)c2cc1OC
InChIInChI=1S/C24H20FN3O4/c1-30-22-13-17-20(14-23(22)31-2)26-12-11-21(17)32-16-9-7-15(8-10-16)27-24(29)28-19-6-4-3-5-18(19)25/h3-14H,1-2H3,(H2,27,28,29)
InChIKeySFUSDJRVEVLCSW-UHFFFAOYSA-N
XLogP5.83
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.44
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2-fluorophenyl)urea (CID 11305057) is 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2-fluorophenyl)urea is COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccccc4F)cc3)c2cc1OC.
What is the InChIKey of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2-fluorophenyl)urea?
The InChIKey is SFUSDJRVEVLCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4/c1-30-22-13-17-20(14-23(22)31-2)26-12-11-21(17)32-16-9-7-15(8-10-16)27-24(29)28-19-6-4-3-5-18(19)25/h3-14H,1-2H3,(H2,27,28,29).
What are the key properties of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2-fluorophenyl)urea?
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2-fluorophenyl)urea has a molecular weight of 433.44 g/mol, XLogP of 5.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 11305057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).