1-N'-(4-fluorophenyl)-1-N-[4-[7-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide

C28H23FN4O4 — CID 139350583

IUPAC1-N'-(4-fluorophenyl)-1-N-[4-[7-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
SMILESCNC(=O)c1ccc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)ccnc2c1
InChIInChI=1S/C28H23FN4O4/c1-30-25(34)17-2-11-22-23(16-17)31-15-12-24(22)37-21-9-7-20(8-10-21)33-27(36)28(13-14-28)26(35)32-19-5-3-18(29)4-6-19/h2-12,15-16H,13-14H2,1H3,(H,30,34)(H,32,35)(H,33,36)
InChIKeyFEWWYSIKODPXBG-UHFFFAOYSA-N
MW498.51 g/mol
LogP4.88
Rot. Bonds7

About 1-N'-(4-fluorophenyl)-1-N-[4-[7-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide

1-N'-(4-fluorophenyl)-1-N-[4-[7-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide (PubChem CID 139350583) has the molecular formula C28H23FN4O4 and a molecular weight of 498.51 g/mol. Its IUPAC name is 1-N'-(4-fluorophenyl)-1-N-[4-[7-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(4-fluorophenyl)-1-N-[4-[7-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
PubChem CID139350583
Molecular FormulaC28H23FN4O4
Molecular Weight498.51 g/mol
Exact Mass498.17
IUPAC Name1-N'-(4-fluorophenyl)-1-N-[4-[7-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
SMILESCNC(=O)c1ccc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)ccnc2c1
InChIInChI=1S/C28H23FN4O4/c1-30-25(34)17-2-11-22-23(16-17)31-15-12-24(22)37-21-9-7-20(8-10-21)33-27(36)28(13-14-28)26(35)32-19-5-3-18(29)4-6-19/h2-12,15-16H,13-14H2,1H3,(H,30,34)(H,32,35)(H,33,36)
InChIKeyFEWWYSIKODPXBG-UHFFFAOYSA-N
XLogP4.88
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.51
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-N'-(4-fluorophenyl)-1-N-[4-[7-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N'-(4-fluorophenyl)-1-N-[4-[7-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(4-fluorophenyl)-1-N-[4-[7-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide (CID 139350583) is 1-N'-(4-fluorophenyl)-1-N-[4-[7-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(4-fluorophenyl)-1-N-[4-[7-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(4-fluorophenyl)-1-N-[4-[7-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide is CNC(=O)c1ccc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)ccnc2c1.
What is the InChIKey of 1-N'-(4-fluorophenyl)-1-N-[4-[7-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is FEWWYSIKODPXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN4O4/c1-30-25(34)17-2-11-22-23(16-17)31-15-12-24(22)37-21-9-7-20(8-10-21)33-27(36)28(13-14-28)26(35)32-19-5-3-18(29)4-6-19/h2-12,15-16H,13-14H2,1H3,(H,30,34)(H,32,35)(H,33,36).
What are the key properties of 1-N'-(4-fluorophenyl)-1-N-[4-[7-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide?
1-N'-(4-fluorophenyl)-1-N-[4-[7-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 498.51 g/mol, XLogP of 4.88, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(4-fluorophenyl)-1-N-[4-[7-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 139350583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).