N-[7-fluoro-4-oxo-2-(2,2,2-trifluoroethyl)quinazolin-3-yl]-3-(3-fluorophenyl)propanamide

C19H14F5N3O2 — CID 70838736

IUPACN-[7-fluoro-4-oxo-2-(2,2,2-trifluoroethyl)quinazolin-3-yl]-3-(3-fluorophenyl)propanamide
SMILESO=C(CCc1cccc(F)c1)Nn1c(CC(F)(F)F)nc2cc(F)ccc2c1=O
InChIInChI=1S/C19H14F5N3O2/c20-12-3-1-2-11(8-12)4-7-17(28)26-27-16(10-19(22,23)24)25-15-9-13(21)5-6-14(15)18(27)29/h1-3,5-6,8-9H,4,7,10H2,(H,26,28)
InChIKeyHFVYQDWUTOZTJL-UHFFFAOYSA-N
MW411.33 g/mol
LogP3.48
Rot. Bonds5

About N-[7-fluoro-4-oxo-2-(2,2,2-trifluoroethyl)quinazolin-3-yl]-3-(3-fluorophenyl)propanamide

N-[7-fluoro-4-oxo-2-(2,2,2-trifluoroethyl)quinazolin-3-yl]-3-(3-fluorophenyl)propanamide (PubChem CID 70838736) has the molecular formula C19H14F5N3O2 and a molecular weight of 411.33 g/mol. Its IUPAC name is N-[7-fluoro-4-oxo-2-(2,2,2-trifluoroethyl)quinazolin-3-yl]-3-(3-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[7-fluoro-4-oxo-2-(2,2,2-trifluoroethyl)quinazolin-3-yl]-3-(3-fluorophenyl)propanamide
PubChem CID70838736
Molecular FormulaC19H14F5N3O2
Molecular Weight411.33 g/mol
Exact Mass411.10
IUPAC NameN-[7-fluoro-4-oxo-2-(2,2,2-trifluoroethyl)quinazolin-3-yl]-3-(3-fluorophenyl)propanamide
SMILESO=C(CCc1cccc(F)c1)Nn1c(CC(F)(F)F)nc2cc(F)ccc2c1=O
InChIInChI=1S/C19H14F5N3O2/c20-12-3-1-2-11(8-12)4-7-17(28)26-27-16(10-19(22,23)24)25-15-9-13(21)5-6-14(15)18(27)29/h1-3,5-6,8-9H,4,7,10H2,(H,26,28)
InChIKeyHFVYQDWUTOZTJL-UHFFFAOYSA-N
XLogP3.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 53.48
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-(2,2,2-trifluoroethyl)quinazolin-3-yl]-3-(3-fluorophenyl)propanamide?
The IUPAC name of N-[7-fluoro-4-oxo-2-(2,2,2-trifluoroethyl)quinazolin-3-yl]-3-(3-fluorophenyl)propanamide (CID 70838736) is N-[7-fluoro-4-oxo-2-(2,2,2-trifluoroethyl)quinazolin-3-yl]-3-(3-fluorophenyl)propanamide.
What is the SMILES notation for N-[7-fluoro-4-oxo-2-(2,2,2-trifluoroethyl)quinazolin-3-yl]-3-(3-fluorophenyl)propanamide?
The canonical SMILES for N-[7-fluoro-4-oxo-2-(2,2,2-trifluoroethyl)quinazolin-3-yl]-3-(3-fluorophenyl)propanamide is O=C(CCc1cccc(F)c1)Nn1c(CC(F)(F)F)nc2cc(F)ccc2c1=O.
What is the InChIKey of N-[7-fluoro-4-oxo-2-(2,2,2-trifluoroethyl)quinazolin-3-yl]-3-(3-fluorophenyl)propanamide?
The InChIKey is HFVYQDWUTOZTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F5N3O2/c20-12-3-1-2-11(8-12)4-7-17(28)26-27-16(10-19(22,23)24)25-15-9-13(21)5-6-14(15)18(27)29/h1-3,5-6,8-9H,4,7,10H2,(H,26,28).
What are the key properties of N-[7-fluoro-4-oxo-2-(2,2,2-trifluoroethyl)quinazolin-3-yl]-3-(3-fluorophenyl)propanamide?
N-[7-fluoro-4-oxo-2-(2,2,2-trifluoroethyl)quinazolin-3-yl]-3-(3-fluorophenyl)propanamide has a molecular weight of 411.33 g/mol, XLogP of 3.48, 5 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-(2,2,2-trifluoroethyl)quinazolin-3-yl]-3-(3-fluorophenyl)propanamide is sourced from PubChem (CID 70838736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).