2-[4-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxy-3-(trifluoromethyl)phenyl]acetamide

C24H15F6N3O3 — CID 51033809

IUPAC2-[4-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxy-3-(trifluoromethyl)phenyl]acetamide
SMILESNC(=O)Cc1ccc(Oc2ccc3c(c2)c(=O)ncn3Cc2c(F)cc(F)cc2F)c(C(F)(F)F)c1
InChIInChI=1S/C24H15F6N3O3/c25-13-7-18(26)16(19(27)8-13)10-33-11-32-23(35)15-9-14(2-3-20(15)33)36-21-4-1-12(6-22(31)34)5-17(21)24(28,29)30/h1-5,7-9,11H,6,10H2,(H2,31,34)
InChIKeyIOFAOQQQZCLHPY-UHFFFAOYSA-N
MW507.39 g/mol
LogP4.70
Rot. Bonds6

About 2-[4-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxy-3-(trifluoromethyl)phenyl]acetamide

2-[4-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxy-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 51033809) has the molecular formula C24H15F6N3O3 and a molecular weight of 507.39 g/mol. Its IUPAC name is 2-[4-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxy-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxy-3-(trifluoromethyl)phenyl]acetamide
PubChem CID51033809
Molecular FormulaC24H15F6N3O3
Molecular Weight507.39 g/mol
Exact Mass507.10
IUPAC Name2-[4-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxy-3-(trifluoromethyl)phenyl]acetamide
SMILESNC(=O)Cc1ccc(Oc2ccc3c(c2)c(=O)ncn3Cc2c(F)cc(F)cc2F)c(C(F)(F)F)c1
InChIInChI=1S/C24H15F6N3O3/c25-13-7-18(26)16(19(27)8-13)10-33-11-32-23(35)15-9-14(2-3-20(15)33)36-21-4-1-12(6-22(31)34)5-17(21)24(28,29)30/h1-5,7-9,11H,6,10H2,(H2,31,34)
InChIKeyIOFAOQQQZCLHPY-UHFFFAOYSA-N
XLogP4.70
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.39
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxy-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxy-3-(trifluoromethyl)phenyl]acetamide (CID 51033809) is 2-[4-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxy-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxy-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxy-3-(trifluoromethyl)phenyl]acetamide is NC(=O)Cc1ccc(Oc2ccc3c(c2)c(=O)ncn3Cc2c(F)cc(F)cc2F)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxy-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IOFAOQQQZCLHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F6N3O3/c25-13-7-18(26)16(19(27)8-13)10-33-11-32-23(35)15-9-14(2-3-20(15)33)36-21-4-1-12(6-22(31)34)5-17(21)24(28,29)30/h1-5,7-9,11H,6,10H2,(H2,31,34).
What are the key properties of 2-[4-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxy-3-(trifluoromethyl)phenyl]acetamide?
2-[4-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxy-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 507.39 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxy-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 51033809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).