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

C26H22FN5O5 — CID 45483519

IUPACN-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
SMILESCOc1cc2ncnc(Oc3ccc(NC(=O)N4CCN(c5ccccc5)C4=O)cc3F)c2cc1OC
InChIInChI=1S/C26H22FN5O5/c1-35-22-13-18-20(14-23(22)36-2)28-15-29-24(18)37-21-9-8-16(12-19(21)27)30-25(33)32-11-10-31(26(32)34)17-6-4-3-5-7-17/h3-9,12-15H,10-11H2,1-2H3,(H,30,33)
InChIKeyUPLHEVGVTBVSLK-UHFFFAOYSA-N
MW503.49 g/mol
LogP5.05
Rot. Bonds6

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

N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide (PubChem CID 45483519) has the molecular formula C26H22FN5O5 and a molecular weight of 503.49 g/mol. Its IUPAC name is N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
PubChem CID45483519
Molecular FormulaC26H22FN5O5
Molecular Weight503.49 g/mol
Exact Mass503.16
IUPAC NameN-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
SMILESCOc1cc2ncnc(Oc3ccc(NC(=O)N4CCN(c5ccccc5)C4=O)cc3F)c2cc1OC
InChIInChI=1S/C26H22FN5O5/c1-35-22-13-18-20(14-23(22)36-2)28-15-29-24(18)37-21-9-8-16(12-19(21)27)30-25(33)32-11-10-31(26(32)34)17-6-4-3-5-7-17/h3-9,12-15H,10-11H2,1-2H3,(H,30,33)
InChIKeyUPLHEVGVTBVSLK-UHFFFAOYSA-N
XLogP5.05
TPSA106.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.49
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide 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 N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
The IUPAC name of N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide (CID 45483519) is N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide.
What is the SMILES notation for N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
The canonical SMILES for N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide is COc1cc2ncnc(Oc3ccc(NC(=O)N4CCN(c5ccccc5)C4=O)cc3F)c2cc1OC.
What is the InChIKey of N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
The InChIKey is UPLHEVGVTBVSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O5/c1-35-22-13-18-20(14-23(22)36-2)28-15-29-24(18)37-21-9-8-16(12-19(21)27)30-25(33)32-11-10-31(26(32)34)17-6-4-3-5-7-17/h3-9,12-15H,10-11H2,1-2H3,(H,30,33).
What are the key properties of N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide has a molecular weight of 503.49 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide is sourced from PubChem (CID 45483519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).