(3Z)-3-[(E)-3-(furan-2-yl)prop-2-enylidene]-6-(trifluoromethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one

C19H13F3N2O2 — CID 51127284

About (3Z)-3-[(E)-3-(furan-2-yl)prop-2-enylidene]-6-(trifluoromethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one

(3Z)-3-[(E)-3-(furan-2-yl)prop-2-enylidene]-6-(trifluoromethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one (PubChem CID 51127284) has the molecular formula C19H13F3N2O2 and a molecular weight of 358.32 g/mol. Its IUPAC name is (3Z)-3-[(E)-3-(furan-2-yl)prop-2-enylidene]-6-(trifluoromethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one.

Molecular Properties

• Compound Name: (3Z)-3-[(E)-3-(furan-2-yl)prop-2-enylidene]-6-(trifluoromethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
• PubChem CID: 51127284
• Molecular Formula: C19H13F3N2O2
• Molecular Weight: 358.32 g/mol
• Exact Mass: 358.09
• IUPAC Name: (3Z)-3-[(E)-3-(furan-2-yl)prop-2-enylidene]-6-(trifluoromethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
• SMILES: O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/C=C/c1ccco1
• InChI: InChI=1S/C19H13F3N2O2/c20-19(21,22)13-6-7-15-16(11-13)23-17-12(8-9-24(17)18(15)25)3-1-4-14-5-2-10-26-14/h1-7,10-11H,8-9H2/b4-1+,12-3-
• InChIKey: SHNZSLZJXDUGRC-SJBOZLQKSA-N
• XLogP: 4.51
• TPSA: 48.03 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.32
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(E)-3-(furan-2-yl)prop-2-enylidene]-6-(trifluoromethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one?

The IUPAC name of (3Z)-3-[(E)-3-(furan-2-yl)prop-2-enylidene]-6-(trifluoromethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one (CID 51127284) is (3Z)-3-[(E)-3-(furan-2-yl)prop-2-enylidene]-6-(trifluoromethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one.

What is the SMILES notation for (3Z)-3-[(E)-3-(furan-2-yl)prop-2-enylidene]-6-(trifluoromethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one?

The canonical SMILES for (3Z)-3-[(E)-3-(furan-2-yl)prop-2-enylidene]-6-(trifluoromethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one is O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/C=C/c1ccco1.

What is the InChIKey of (3Z)-3-[(E)-3-(furan-2-yl)prop-2-enylidene]-6-(trifluoromethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one?

The InChIKey is SHNZSLZJXDUGRC-SJBOZLQKSA-N. The full InChI is InChI=1S/C19H13F3N2O2/c20-19(21,22)13-6-7-15-16(11-13)23-17-12(8-9-24(17)18(15)25)3-1-4-14-5-2-10-26-14/h1-7,10-11H,8-9H2/b4-1+,12-3-.

What are the key properties of (3Z)-3-[(E)-3-(furan-2-yl)prop-2-enylidene]-6-(trifluoromethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one?

(3Z)-3-[(E)-3-(furan-2-yl)prop-2-enylidene]-6-(trifluoromethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one has a molecular weight of 358.32 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3Z)-3-[(E)-3-(furan-2-yl)prop-2-enylidene]-6-(trifluoromethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one is sourced from PubChem (CID 51127284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).