N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide

C28H24FN3O5 — CID 24965937

IUPACN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)C4CCN(c5ccccc5)C4=O)cc3F)c2cc1OC
InChIInChI=1S/C28H24FN3O5/c1-35-25-15-20-22(16-26(25)36-2)30-12-10-23(20)37-24-9-8-17(14-21(24)29)31-27(33)19-11-13-32(28(19)34)18-6-4-3-5-7-18/h3-10,12,14-16,19H,11,13H2,1-2H3,(H,31,33)
InChIKeyGFMJATLKGABDIJ-UHFFFAOYSA-N
MW501.51 g/mol
LogP5.18
Rot. Bonds7

About N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide

N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 24965937) has the molecular formula C28H24FN3O5 and a molecular weight of 501.51 g/mol. Its IUPAC name is N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID24965937
Molecular FormulaC28H24FN3O5
Molecular Weight501.51 g/mol
Exact Mass501.17
IUPAC NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)C4CCN(c5ccccc5)C4=O)cc3F)c2cc1OC
InChIInChI=1S/C28H24FN3O5/c1-35-25-15-20-22(16-26(25)36-2)30-12-10-23(20)37-24-9-8-17(14-21(24)29)31-27(33)19-11-13-32(28(19)34)18-6-4-3-5-7-18/h3-10,12,14-16,19H,11,13H2,1-2H3,(H,31,33)
InChIKeyGFMJATLKGABDIJ-UHFFFAOYSA-N
XLogP5.18
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.51
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide (CID 24965937) is N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide is COc1cc2nccc(Oc3ccc(NC(=O)C4CCN(c5ccccc5)C4=O)cc3F)c2cc1OC.
What is the InChIKey of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is GFMJATLKGABDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN3O5/c1-35-25-15-20-22(16-26(25)36-2)30-12-10-23(20)37-24-9-8-17(14-21(24)29)31-27(33)19-11-13-32(28(19)34)18-6-4-3-5-7-18/h3-10,12,14-16,19H,11,13H2,1-2H3,(H,31,33).
What are the key properties of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 501.51 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 24965937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).