N-[2-cyclopropyl-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide

C20H14F5N3O2 — CID 11281665

IUPACN-[2-cyclopropyl-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide
SMILESO=C(Cc1cc(F)cc(F)c1)Nn1c(C2CC2)nc2cc(C(F)(F)F)ccc2c1=O
InChIInChI=1S/C20H14F5N3O2/c21-13-5-10(6-14(22)9-13)7-17(29)27-28-18(11-1-2-11)26-16-8-12(20(23,24)25)3-4-15(16)19(28)30/h3-6,8-9,11H,1-2,7H2,(H,27,29)
InChIKeyDGEPBYPUBFQVJL-UHFFFAOYSA-N
MW423.34 g/mol
LogP3.88
Rot. Bonds4

About N-[2-cyclopropyl-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide

N-[2-cyclopropyl-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide (PubChem CID 11281665) has the molecular formula C20H14F5N3O2 and a molecular weight of 423.34 g/mol. Its IUPAC name is N-[2-cyclopropyl-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide
PubChem CID11281665
Molecular FormulaC20H14F5N3O2
Molecular Weight423.34 g/mol
Exact Mass423.10
IUPAC NameN-[2-cyclopropyl-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide
SMILESO=C(Cc1cc(F)cc(F)c1)Nn1c(C2CC2)nc2cc(C(F)(F)F)ccc2c1=O
InChIInChI=1S/C20H14F5N3O2/c21-13-5-10(6-14(22)9-13)7-17(29)27-28-18(11-1-2-11)26-16-8-12(20(23,24)25)3-4-15(16)19(28)30/h3-6,8-9,11H,1-2,7H2,(H,27,29)
InChIKeyDGEPBYPUBFQVJL-UHFFFAOYSA-N
XLogP3.88
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide?
The IUPAC name of N-[2-cyclopropyl-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide (CID 11281665) is N-[2-cyclopropyl-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for N-[2-cyclopropyl-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide?
The canonical SMILES for N-[2-cyclopropyl-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide is O=C(Cc1cc(F)cc(F)c1)Nn1c(C2CC2)nc2cc(C(F)(F)F)ccc2c1=O.
What is the InChIKey of N-[2-cyclopropyl-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide?
The InChIKey is DGEPBYPUBFQVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F5N3O2/c21-13-5-10(6-14(22)9-13)7-17(29)27-28-18(11-1-2-11)26-16-8-12(20(23,24)25)3-4-15(16)19(28)30/h3-6,8-9,11H,1-2,7H2,(H,27,29).
What are the key properties of N-[2-cyclopropyl-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide?
N-[2-cyclopropyl-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide has a molecular weight of 423.34 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 11281665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).