2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,5-dimethylquinazolin-4-one

C24H19FN2O3 — CID 18919023

IUPAC2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,5-dimethylquinazolin-4-one
SMILESCc1cccc2nc(OCc3ccc(C(=O)c4ccc(F)cc4)cc3)n(C)c(=O)c12
InChIInChI=1S/C24H19FN2O3/c1-15-4-3-5-20-21(15)23(29)27(2)24(26-20)30-14-16-6-8-17(9-7-16)22(28)18-10-12-19(25)13-11-18/h3-13H,14H2,1-2H3
InChIKeyNYLFXFZOEMQEFV-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.19
Rot. Bonds5

About 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,5-dimethylquinazolin-4-one

2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,5-dimethylquinazolin-4-one (PubChem CID 18919023) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,5-dimethylquinazolin-4-one.

Molecular Properties

Compound Name2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,5-dimethylquinazolin-4-one
PubChem CID18919023
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC Name2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,5-dimethylquinazolin-4-one
SMILESCc1cccc2nc(OCc3ccc(C(=O)c4ccc(F)cc4)cc3)n(C)c(=O)c12
InChIInChI=1S/C24H19FN2O3/c1-15-4-3-5-20-21(15)23(29)27(2)24(26-20)30-14-16-6-8-17(9-7-16)22(28)18-10-12-19(25)13-11-18/h3-13H,14H2,1-2H3
InChIKeyNYLFXFZOEMQEFV-UHFFFAOYSA-N
XLogP4.19
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,5-dimethylquinazolin-4-one?
The IUPAC name of 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,5-dimethylquinazolin-4-one (CID 18919023) is 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,5-dimethylquinazolin-4-one.
What is the SMILES notation for 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,5-dimethylquinazolin-4-one?
The canonical SMILES for 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,5-dimethylquinazolin-4-one is Cc1cccc2nc(OCc3ccc(C(=O)c4ccc(F)cc4)cc3)n(C)c(=O)c12.
What is the InChIKey of 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,5-dimethylquinazolin-4-one?
The InChIKey is NYLFXFZOEMQEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3/c1-15-4-3-5-20-21(15)23(29)27(2)24(26-20)30-14-16-6-8-17(9-7-16)22(28)18-10-12-19(25)13-11-18/h3-13H,14H2,1-2H3.
What are the key properties of 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,5-dimethylquinazolin-4-one?
2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,5-dimethylquinazolin-4-one has a molecular weight of 402.43 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,5-dimethylquinazolin-4-one is sourced from PubChem (CID 18919023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).