1-(4-fluorophenyl)-3-[4-[6-(methanesulfonamido)-7-methoxyquinolin-4-yl]oxyphenyl]urea

C24H21FN4O5S — CID 58931501

IUPAC1-(4-fluorophenyl)-3-[4-[6-(methanesulfonamido)-7-methoxyquinolin-4-yl]oxyphenyl]urea
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)c2cc1NS(C)(=O)=O
InChIInChI=1S/C24H21FN4O5S/c1-33-23-14-20-19(13-21(23)29-35(2,31)32)22(11-12-26-20)34-18-9-7-17(8-10-18)28-24(30)27-16-5-3-15(25)4-6-16/h3-14,29H,1-2H3,(H2,27,28,30)
InChIKeyNTELUERHIRVGDS-UHFFFAOYSA-N
MW496.52 g/mol
LogP5.19
Rot. Bonds7

About 1-(4-fluorophenyl)-3-[4-[6-(methanesulfonamido)-7-methoxyquinolin-4-yl]oxyphenyl]urea

1-(4-fluorophenyl)-3-[4-[6-(methanesulfonamido)-7-methoxyquinolin-4-yl]oxyphenyl]urea (PubChem CID 58931501) has the molecular formula C24H21FN4O5S and a molecular weight of 496.52 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-[6-(methanesulfonamido)-7-methoxyquinolin-4-yl]oxyphenyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-[6-(methanesulfonamido)-7-methoxyquinolin-4-yl]oxyphenyl]urea
PubChem CID58931501
Molecular FormulaC24H21FN4O5S
Molecular Weight496.52 g/mol
Exact Mass496.12
IUPAC Name1-(4-fluorophenyl)-3-[4-[6-(methanesulfonamido)-7-methoxyquinolin-4-yl]oxyphenyl]urea
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)c2cc1NS(C)(=O)=O
InChIInChI=1S/C24H21FN4O5S/c1-33-23-14-20-19(13-21(23)29-35(2,31)32)22(11-12-26-20)34-18-9-7-17(8-10-18)28-24(30)27-16-5-3-15(25)4-6-16/h3-14,29H,1-2H3,(H2,27,28,30)
InChIKeyNTELUERHIRVGDS-UHFFFAOYSA-N
XLogP5.19
TPSA118.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.52
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(4-fluorophenyl)-3-[4-[6-(methanesulfonamido)-7-methoxyquinolin-4-yl]oxyphenyl]urea with MolForge

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Related Compounds

1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-(4-fluorophenyl)urea
CID 69321364
1-(2,5-dimethoxyphenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 22132728
1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(2,4-difluorophenyl)urea
CID 22936794
methyl N-[4-[4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-7-methoxyquinolin-6-yl]carbamate
CID 139350519
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea
CID 23084603
1-(2,3-difluorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 11270888
trans-(1S,2R)-1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-fluoro-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 162648053
1-[4-[6-cyano-7-[3-(methanesulfonamido)propoxy]quinolin-4-yl]oxy-2-fluorophenyl]-3-(4-fluorophenyl)urea
CID 22936572
sodium 6-cyano-4-[4-[(4-fluorophenyl)carbamoylamino]phenoxy]quinolin-7-olate
CID 23711331
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea
CID 22935499
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;phosphoric acid
CID 122573028

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[4-[6-(methanesulfonamido)-7-methoxyquinolin-4-yl]oxyphenyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-[6-(methanesulfonamido)-7-methoxyquinolin-4-yl]oxyphenyl]urea (CID 58931501) is 1-(4-fluorophenyl)-3-[4-[6-(methanesulfonamido)-7-methoxyquinolin-4-yl]oxyphenyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-[6-(methanesulfonamido)-7-methoxyquinolin-4-yl]oxyphenyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-[6-(methanesulfonamido)-7-methoxyquinolin-4-yl]oxyphenyl]urea is COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)c2cc1NS(C)(=O)=O.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-[6-(methanesulfonamido)-7-methoxyquinolin-4-yl]oxyphenyl]urea?
The InChIKey is NTELUERHIRVGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O5S/c1-33-23-14-20-19(13-21(23)29-35(2,31)32)22(11-12-26-20)34-18-9-7-17(8-10-18)28-24(30)27-16-5-3-15(25)4-6-16/h3-14,29H,1-2H3,(H2,27,28,30).
What are the key properties of 1-(4-fluorophenyl)-3-[4-[6-(methanesulfonamido)-7-methoxyquinolin-4-yl]oxyphenyl]urea?
1-(4-fluorophenyl)-3-[4-[6-(methanesulfonamido)-7-methoxyquinolin-4-yl]oxyphenyl]urea has a molecular weight of 496.52 g/mol, XLogP of 5.19, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[4-[6-(methanesulfonamido)-7-methoxyquinolin-4-yl]oxyphenyl]urea is sourced from PubChem (CID 58931501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).