N-(azetidin-3-yl)-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide

C15H15F3N4O — CID 58562716

IUPACN-(azetidin-3-yl)-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide
SMILESO=C(CCc1ncnc2ccc(C(F)(F)F)cc12)NC1CNC1
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)9-1-2-12-11(5-9)13(21-8-20-12)3-4-14(23)22-10-6-19-7-10/h1-2,5,8,10,19H,3-4,6-7H2,(H,22,23)
InChIKeyBNZBOEZGDKIULI-UHFFFAOYSA-N
MW324.31 g/mol
LogP1.67
Rot. Bonds4

About N-(azetidin-3-yl)-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide

N-(azetidin-3-yl)-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide (PubChem CID 58562716) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is N-(azetidin-3-yl)-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide
PubChem CID58562716
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC NameN-(azetidin-3-yl)-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide
SMILESO=C(CCc1ncnc2ccc(C(F)(F)F)cc12)NC1CNC1
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)9-1-2-12-11(5-9)13(21-8-20-12)3-4-14(23)22-10-6-19-7-10/h1-2,5,8,10,19H,3-4,6-7H2,(H,22,23)
InChIKeyBNZBOEZGDKIULI-UHFFFAOYSA-N
XLogP1.67
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide?
The IUPAC name of N-(azetidin-3-yl)-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide (CID 58562716) is N-(azetidin-3-yl)-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide.
What is the SMILES notation for N-(azetidin-3-yl)-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide?
The canonical SMILES for N-(azetidin-3-yl)-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide is O=C(CCc1ncnc2ccc(C(F)(F)F)cc12)NC1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide?
The InChIKey is BNZBOEZGDKIULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O/c16-15(17,18)9-1-2-12-11(5-9)13(21-8-20-12)3-4-14(23)22-10-6-19-7-10/h1-2,5,8,10,19H,3-4,6-7H2,(H,22,23).
What are the key properties of N-(azetidin-3-yl)-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide?
N-(azetidin-3-yl)-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide has a molecular weight of 324.31 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide is sourced from PubChem (CID 58562716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).