1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(2,4-difluorophenyl)urea

C24H15F3N4O3 — CID 22936280

IUPAC1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(2,4-difluorophenyl)urea
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1C#N
InChIInChI=1S/C24H15F3N4O3/c1-33-23-11-21-16(8-13(23)12-28)22(6-7-29-21)34-15-3-5-20(18(27)10-15)31-24(32)30-19-4-2-14(25)9-17(19)26/h2-11H,1H3,(H2,30,31,32)
InChIKeyPUPVHMOCLSRLGG-UHFFFAOYSA-N
MW464.40 g/mol
LogP5.97
Rot. Bonds5

About 1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(2,4-difluorophenyl)urea

1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(2,4-difluorophenyl)urea (PubChem CID 22936280) has the molecular formula C24H15F3N4O3 and a molecular weight of 464.40 g/mol. Its IUPAC name is 1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(2,4-difluorophenyl)urea
PubChem CID22936280
Molecular FormulaC24H15F3N4O3
Molecular Weight464.40 g/mol
Exact Mass464.11
IUPAC Name1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(2,4-difluorophenyl)urea
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1C#N
InChIInChI=1S/C24H15F3N4O3/c1-33-23-11-21-16(8-13(23)12-28)22(6-7-29-21)34-15-3-5-20(18(27)10-15)31-24(32)30-19-4-2-14(25)9-17(19)26/h2-11H,1H3,(H2,30,31,32)
InChIKeyPUPVHMOCLSRLGG-UHFFFAOYSA-N
XLogP5.97
TPSA96.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.40
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(2,4-difluorophenyl)urea with MolForge

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Related Compounds

1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(2,4-difluorophenyl)urea
CID 22936794
1-[4-[6-cyano-7-[3-(diethylamino)propoxy]quinolin-4-yl]oxy-2-fluorophenyl]-3-(2,4-difluorophenyl)urea
CID 10166579
1-[4-[7-(3-aminopropoxy)-6-cyanoquinolin-4-yl]oxy-2-fluorophenyl]-3-(4-fluorophenyl)urea
CID 70953718
sodium 1-[4-(6-cyano-7-hydroxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(4-fluorophenyl)urea
CID 135829377
1-[4-[6-cyano-7-[3-(methanesulfonamido)propoxy]quinolin-4-yl]oxy-2-fluorophenyl]-3-(4-fluorophenyl)urea
CID 22936572
1-[2-fluoro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-3-methylurea
CID 70953580
N'-(2,4-difluorophenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]propanediamide
CID 59791951
1-[4-[7-(1-bromoethoxy)-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-3-(2,4-difluorophenyl)urea
CID 142651684
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-(4-fluorophenyl)urea
CID 69321364
tert-butyl 4-[[6-cyano-4-[3-fluoro-4-[(4-fluorophenyl)carbamoylamino]phenoxy]quinolin-7-yl]oxymethyl]piperidine-1-carboxylate
CID 67203610
N-(2,4-difluorophenyl)-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-methoxypropanediamide
CID 22935461
1-[4-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxy-2-fluorophenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
CID 22936755

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(2,4-difluorophenyl)urea (CID 22936280) is 1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(2,4-difluorophenyl)urea is COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1C#N.
What is the InChIKey of 1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(2,4-difluorophenyl)urea?
The InChIKey is PUPVHMOCLSRLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N4O3/c1-33-23-11-21-16(8-13(23)12-28)22(6-7-29-21)34-15-3-5-20(18(27)10-15)31-24(32)30-19-4-2-14(25)9-17(19)26/h2-11H,1H3,(H2,30,31,32).
What are the key properties of 1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(2,4-difluorophenyl)urea?
1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(2,4-difluorophenyl)urea has a molecular weight of 464.40 g/mol, XLogP of 5.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 22936280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).