N-[7-fluoro-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide

C17H11F4N3O2 — CID 70838791

IUPACN-[7-fluoro-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nn1c(C(F)(F)F)nc2cc(F)ccc2c1=O
InChIInChI=1S/C17H11F4N3O2/c18-11-6-7-12-13(9-11)22-16(17(19,20)21)24(15(12)26)23-14(25)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,23,25)
InChIKeyHYQBDSGVIQXPEO-UHFFFAOYSA-N
MW365.29 g/mol
LogP2.87
Rot. Bonds3

About N-[7-fluoro-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide

N-[7-fluoro-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide (PubChem CID 70838791) has the molecular formula C17H11F4N3O2 and a molecular weight of 365.29 g/mol. Its IUPAC name is N-[7-fluoro-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[7-fluoro-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide
PubChem CID70838791
Molecular FormulaC17H11F4N3O2
Molecular Weight365.29 g/mol
Exact Mass365.08
IUPAC NameN-[7-fluoro-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nn1c(C(F)(F)F)nc2cc(F)ccc2c1=O
InChIInChI=1S/C17H11F4N3O2/c18-11-6-7-12-13(9-11)22-16(17(19,20)21)24(15(12)26)23-14(25)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,23,25)
InChIKeyHYQBDSGVIQXPEO-UHFFFAOYSA-N
XLogP2.87
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[7-fluoro-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide?
The IUPAC name of N-[7-fluoro-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide (CID 70838791) is N-[7-fluoro-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[7-fluoro-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[7-fluoro-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nn1c(C(F)(F)F)nc2cc(F)ccc2c1=O.
What is the InChIKey of N-[7-fluoro-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide?
The InChIKey is HYQBDSGVIQXPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4N3O2/c18-11-6-7-12-13(9-11)22-16(17(19,20)21)24(15(12)26)23-14(25)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,23,25).
What are the key properties of N-[7-fluoro-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide?
N-[7-fluoro-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide has a molecular weight of 365.29 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-fluoro-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 70838791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).