[4-(trifluoromethoxy)phenyl]methyl 4-(4-oxoquinazolin-3-yl)benzoate

C23H15F3N2O4 — CID 47021865

IUPAC[4-(trifluoromethoxy)phenyl]methyl 4-(4-oxoquinazolin-3-yl)benzoate
SMILESO=C(OCc1ccc(OC(F)(F)F)cc1)c1ccc(-n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C23H15F3N2O4/c24-23(25,26)32-18-11-5-15(6-12-18)13-31-22(30)16-7-9-17(10-8-16)28-14-27-20-4-2-1-3-19(20)21(28)29/h1-12,14H,13H2
InChIKeyOXUBBFPDGUZLGQ-UHFFFAOYSA-N
MW440.38 g/mol
LogP4.64
Rot. Bonds5

About [4-(trifluoromethoxy)phenyl]methyl 4-(4-oxoquinazolin-3-yl)benzoate

[4-(trifluoromethoxy)phenyl]methyl 4-(4-oxoquinazolin-3-yl)benzoate (PubChem CID 47021865) has the molecular formula C23H15F3N2O4 and a molecular weight of 440.38 g/mol. Its IUPAC name is [4-(trifluoromethoxy)phenyl]methyl 4-(4-oxoquinazolin-3-yl)benzoate.

Molecular Properties

Compound Name[4-(trifluoromethoxy)phenyl]methyl 4-(4-oxoquinazolin-3-yl)benzoate
PubChem CID47021865
Molecular FormulaC23H15F3N2O4
Molecular Weight440.38 g/mol
Exact Mass440.10
IUPAC Name[4-(trifluoromethoxy)phenyl]methyl 4-(4-oxoquinazolin-3-yl)benzoate
SMILESO=C(OCc1ccc(OC(F)(F)F)cc1)c1ccc(-n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C23H15F3N2O4/c24-23(25,26)32-18-11-5-15(6-12-18)13-31-22(30)16-7-9-17(10-8-16)28-14-27-20-4-2-1-3-19(20)21(28)29/h1-12,14H,13H2
InChIKeyOXUBBFPDGUZLGQ-UHFFFAOYSA-N
XLogP4.64
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-chlorothiophen-2-yl)methyl 4-(4-oxoquinazolin-3-yl)benzoate
CID 75401863
benzyl 4-(trifluoromethoxy)benzoate
CID 138483399
(4-cyanophenyl)methyl 4-(benzimidazol-1-yl)benzoate
CID 4792894
N-[2-(4-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 24512604
3-[3,5-bis(trifluoromethyl)phenyl]quinazolin-4-one
CID 3116934
N'-[4-(diethylamino)benzoyl]-4-(4-oxoquinazolin-3-yl)benzohydrazide
CID 24513988
N-methyl-1-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzimidazole-5-carboxamide
CID 67011817
N-benzyl-4-(4-oxoquinazolin-3-yl)-N-propylbenzamide
CID 43020410
methyl 3-methyl-2-[[4-(4-oxoquinazolin-3-yl)benzoyl]amino]butanoate
CID 17464811
3-[4-oxo-4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]butyl]quinazolin-4-one
CID 30874398
2-(4-oxoquinazolin-3-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 46423728
N-[(4-methoxyphenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 24641669

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethoxy)phenyl]methyl 4-(4-oxoquinazolin-3-yl)benzoate?
The IUPAC name of [4-(trifluoromethoxy)phenyl]methyl 4-(4-oxoquinazolin-3-yl)benzoate (CID 47021865) is [4-(trifluoromethoxy)phenyl]methyl 4-(4-oxoquinazolin-3-yl)benzoate.
What is the SMILES notation for [4-(trifluoromethoxy)phenyl]methyl 4-(4-oxoquinazolin-3-yl)benzoate?
The canonical SMILES for [4-(trifluoromethoxy)phenyl]methyl 4-(4-oxoquinazolin-3-yl)benzoate is O=C(OCc1ccc(OC(F)(F)F)cc1)c1ccc(-n2cnc3ccccc3c2=O)cc1.
What is the InChIKey of [4-(trifluoromethoxy)phenyl]methyl 4-(4-oxoquinazolin-3-yl)benzoate?
The InChIKey is OXUBBFPDGUZLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N2O4/c24-23(25,26)32-18-11-5-15(6-12-18)13-31-22(30)16-7-9-17(10-8-16)28-14-27-20-4-2-1-3-19(20)21(28)29/h1-12,14H,13H2.
What are the key properties of [4-(trifluoromethoxy)phenyl]methyl 4-(4-oxoquinazolin-3-yl)benzoate?
[4-(trifluoromethoxy)phenyl]methyl 4-(4-oxoquinazolin-3-yl)benzoate has a molecular weight of 440.38 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethoxy)phenyl]methyl 4-(4-oxoquinazolin-3-yl)benzoate is sourced from PubChem (CID 47021865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).