1-butyl-7-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one

C15H16F3N3O — CID 13299025

IUPAC1-butyl-7-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one
SMILESCCCCN1CCn2c1nc1ccc(C(F)(F)F)cc1c2=O
InChIInChI=1S/C15H16F3N3O/c1-2-3-6-20-7-8-21-13(22)11-9-10(15(16,17)18)4-5-12(11)19-14(20)21/h4-5,9H,2-3,6-8H2,1H3
InChIKeyUWZVRSRQWFJOCZ-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.04
Rot. Bonds3

About 1-butyl-7-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one

1-butyl-7-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one (PubChem CID 13299025) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is 1-butyl-7-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one.

Molecular Properties

Compound Name1-butyl-7-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one
PubChem CID13299025
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name1-butyl-7-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one
SMILESCCCCN1CCn2c1nc1ccc(C(F)(F)F)cc1c2=O
InChIInChI=1S/C15H16F3N3O/c1-2-3-6-20-7-8-21-13(22)11-9-10(15(16,17)18)4-5-12(11)19-14(20)21/h4-5,9H,2-3,6-8H2,1H3
InChIKeyUWZVRSRQWFJOCZ-UHFFFAOYSA-N
XLogP3.04
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-7-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one?
The IUPAC name of 1-butyl-7-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one (CID 13299025) is 1-butyl-7-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one.
What is the SMILES notation for 1-butyl-7-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one?
The canonical SMILES for 1-butyl-7-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one is CCCCN1CCn2c1nc1ccc(C(F)(F)F)cc1c2=O.
What is the InChIKey of 1-butyl-7-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one?
The InChIKey is UWZVRSRQWFJOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-2-3-6-20-7-8-21-13(22)11-9-10(15(16,17)18)4-5-12(11)19-14(20)21/h4-5,9H,2-3,6-8H2,1H3.
What are the key properties of 1-butyl-7-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one?
1-butyl-7-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one has a molecular weight of 311.31 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-7-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one is sourced from PubChem (CID 13299025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).