1-[4-morpholin-4-yl-2-(trifluoromethyl)quinazolin-6-yl]ethanone

C15H14F3N3O2 — CID 67105711

IUPAC1-[4-morpholin-4-yl-2-(trifluoromethyl)quinazolin-6-yl]ethanone
SMILESCC(=O)c1ccc2nc(C(F)(F)F)nc(N3CCOCC3)c2c1
InChIInChI=1S/C15H14F3N3O2/c1-9(22)10-2-3-12-11(8-10)13(21-4-6-23-7-5-21)20-14(19-12)15(16,17)18/h2-3,8H,4-7H2,1H3
InChIKeyVAWGOQNCXOOYJY-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.69
Rot. Bonds2

About 1-[4-morpholin-4-yl-2-(trifluoromethyl)quinazolin-6-yl]ethanone

1-[4-morpholin-4-yl-2-(trifluoromethyl)quinazolin-6-yl]ethanone (PubChem CID 67105711) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-[4-morpholin-4-yl-2-(trifluoromethyl)quinazolin-6-yl]ethanone.

Molecular Properties

Compound Name1-[4-morpholin-4-yl-2-(trifluoromethyl)quinazolin-6-yl]ethanone
PubChem CID67105711
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name1-[4-morpholin-4-yl-2-(trifluoromethyl)quinazolin-6-yl]ethanone
SMILESCC(=O)c1ccc2nc(C(F)(F)F)nc(N3CCOCC3)c2c1
InChIInChI=1S/C15H14F3N3O2/c1-9(22)10-2-3-12-11(8-10)13(21-4-6-23-7-5-21)20-14(19-12)15(16,17)18/h2-3,8H,4-7H2,1H3
InChIKeyVAWGOQNCXOOYJY-UHFFFAOYSA-N
XLogP2.69
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-morpholin-4-yl-2-(trifluoromethyl)quinazolin-6-yl]ethanone?
The IUPAC name of 1-[4-morpholin-4-yl-2-(trifluoromethyl)quinazolin-6-yl]ethanone (CID 67105711) is 1-[4-morpholin-4-yl-2-(trifluoromethyl)quinazolin-6-yl]ethanone.
What is the SMILES notation for 1-[4-morpholin-4-yl-2-(trifluoromethyl)quinazolin-6-yl]ethanone?
The canonical SMILES for 1-[4-morpholin-4-yl-2-(trifluoromethyl)quinazolin-6-yl]ethanone is CC(=O)c1ccc2nc(C(F)(F)F)nc(N3CCOCC3)c2c1.
What is the InChIKey of 1-[4-morpholin-4-yl-2-(trifluoromethyl)quinazolin-6-yl]ethanone?
The InChIKey is VAWGOQNCXOOYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-9(22)10-2-3-12-11(8-10)13(21-4-6-23-7-5-21)20-14(19-12)15(16,17)18/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-[4-morpholin-4-yl-2-(trifluoromethyl)quinazolin-6-yl]ethanone?
1-[4-morpholin-4-yl-2-(trifluoromethyl)quinazolin-6-yl]ethanone has a molecular weight of 325.29 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-morpholin-4-yl-2-(trifluoromethyl)quinazolin-6-yl]ethanone is sourced from PubChem (CID 67105711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).