N-[4-oxo-2-propyl-7-(trifluoromethoxy)quinazolin-3-yl]-2-phenylacetamide

C20H18F3N3O3 — CID 70838803

IUPACN-[4-oxo-2-propyl-7-(trifluoromethoxy)quinazolin-3-yl]-2-phenylacetamide
SMILESCCCc1nc2cc(OC(F)(F)F)ccc2c(=O)n1NC(=O)Cc1ccccc1
InChIInChI=1S/C20H18F3N3O3/c1-2-6-17-24-16-12-14(29-20(21,22)23)9-10-15(16)19(28)26(17)25-18(27)11-13-7-4-3-5-8-13/h3-5,7-10,12H,2,6,11H2,1H3,(H,25,27)
InChIKeyKOGUUAFQXPZLES-UHFFFAOYSA-N
MW405.38 g/mol
LogP3.56
Rot. Bonds6

About N-[4-oxo-2-propyl-7-(trifluoromethoxy)quinazolin-3-yl]-2-phenylacetamide

N-[4-oxo-2-propyl-7-(trifluoromethoxy)quinazolin-3-yl]-2-phenylacetamide (PubChem CID 70838803) has the molecular formula C20H18F3N3O3 and a molecular weight of 405.38 g/mol. Its IUPAC name is N-[4-oxo-2-propyl-7-(trifluoromethoxy)quinazolin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-oxo-2-propyl-7-(trifluoromethoxy)quinazolin-3-yl]-2-phenylacetamide
PubChem CID70838803
Molecular FormulaC20H18F3N3O3
Molecular Weight405.38 g/mol
Exact Mass405.13
IUPAC NameN-[4-oxo-2-propyl-7-(trifluoromethoxy)quinazolin-3-yl]-2-phenylacetamide
SMILESCCCc1nc2cc(OC(F)(F)F)ccc2c(=O)n1NC(=O)Cc1ccccc1
InChIInChI=1S/C20H18F3N3O3/c1-2-6-17-24-16-12-14(29-20(21,22)23)9-10-15(16)19(28)26(17)25-18(27)11-13-7-4-3-5-8-13/h3-5,7-10,12H,2,6,11H2,1H3,(H,25,27)
InChIKeyKOGUUAFQXPZLES-UHFFFAOYSA-N
XLogP3.56
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-2-propyl-7-(trifluoromethoxy)quinazolin-3-yl]-2-phenylacetamide?
The IUPAC name of N-[4-oxo-2-propyl-7-(trifluoromethoxy)quinazolin-3-yl]-2-phenylacetamide (CID 70838803) is N-[4-oxo-2-propyl-7-(trifluoromethoxy)quinazolin-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[4-oxo-2-propyl-7-(trifluoromethoxy)quinazolin-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[4-oxo-2-propyl-7-(trifluoromethoxy)quinazolin-3-yl]-2-phenylacetamide is CCCc1nc2cc(OC(F)(F)F)ccc2c(=O)n1NC(=O)Cc1ccccc1.
What is the InChIKey of N-[4-oxo-2-propyl-7-(trifluoromethoxy)quinazolin-3-yl]-2-phenylacetamide?
The InChIKey is KOGUUAFQXPZLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3/c1-2-6-17-24-16-12-14(29-20(21,22)23)9-10-15(16)19(28)26(17)25-18(27)11-13-7-4-3-5-8-13/h3-5,7-10,12H,2,6,11H2,1H3,(H,25,27).
What are the key properties of N-[4-oxo-2-propyl-7-(trifluoromethoxy)quinazolin-3-yl]-2-phenylacetamide?
N-[4-oxo-2-propyl-7-(trifluoromethoxy)quinazolin-3-yl]-2-phenylacetamide has a molecular weight of 405.38 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-2-propyl-7-(trifluoromethoxy)quinazolin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 70838803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).