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

C14H12F3N3O — CID 13309043

IUPAC1-prop-2-enyl-7-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one
SMILESC=CCN1CCn2c1nc1ccc(C(F)(F)F)cc1c2=O
InChIInChI=1S/C14H12F3N3O/c1-2-5-19-6-7-20-12(21)10-8-9(14(15,16)17)3-4-11(10)18-13(19)20/h2-4,8H,1,5-7H2
InChIKeyBMGDQRSYMJPSHH-UHFFFAOYSA-N
MW295.26 g/mol
LogP2.42
Rot. Bonds2

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

1-prop-2-enyl-7-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one (PubChem CID 13309043) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is 1-prop-2-enyl-7-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one.

Molecular Properties

Compound Name1-prop-2-enyl-7-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one
PubChem CID13309043
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC Name1-prop-2-enyl-7-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one
SMILESC=CCN1CCn2c1nc1ccc(C(F)(F)F)cc1c2=O
InChIInChI=1S/C14H12F3N3O/c1-2-5-19-6-7-20-12(21)10-8-9(14(15,16)17)3-4-11(10)18-13(19)20/h2-4,8H,1,5-7H2
InChIKeyBMGDQRSYMJPSHH-UHFFFAOYSA-N
XLogP2.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-7-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one?
The IUPAC name of 1-prop-2-enyl-7-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one (CID 13309043) is 1-prop-2-enyl-7-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one.
What is the SMILES notation for 1-prop-2-enyl-7-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one?
The canonical SMILES for 1-prop-2-enyl-7-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one is C=CCN1CCn2c1nc1ccc(C(F)(F)F)cc1c2=O.
What is the InChIKey of 1-prop-2-enyl-7-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one?
The InChIKey is BMGDQRSYMJPSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c1-2-5-19-6-7-20-12(21)10-8-9(14(15,16)17)3-4-11(10)18-13(19)20/h2-4,8H,1,5-7H2.
What are the key properties of 1-prop-2-enyl-7-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one?
1-prop-2-enyl-7-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one has a molecular weight of 295.26 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-7-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one is sourced from PubChem (CID 13309043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).