(3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one

C16H12N2OS — CID 16832227

IUPAC(3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one
SMILESO=c1nc2n(c3ccccc13)CC/C2=C\c1cccs1
InChIInChI=1S/C16H12N2OS/c19-16-13-5-1-2-6-14(13)18-8-7-11(15(18)17-16)10-12-4-3-9-20-12/h1-6,9-10H,7-8H2/b11-10+
InChIKeySTLYCYIRZYOBDD-ZHACJKMWSA-N
MW280.35 g/mol
LogP3.40
Rot. Bonds1

About (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one

(3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one (PubChem CID 16832227) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one.

Molecular Properties

Compound Name(3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one
PubChem CID16832227
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC Name(3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one
SMILESO=c1nc2n(c3ccccc13)CC/C2=C\c1cccs1
InChIInChI=1S/C16H12N2OS/c19-16-13-5-1-2-6-14(13)18-8-7-11(15(18)17-16)10-12-4-3-9-20-12/h1-6,9-10H,7-8H2/b11-10+
InChIKeySTLYCYIRZYOBDD-ZHACJKMWSA-N
XLogP3.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one?
The IUPAC name of (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one (CID 16832227) is (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one.
What is the SMILES notation for (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one?
The canonical SMILES for (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one is O=c1nc2n(c3ccccc13)CC/C2=C\c1cccs1.
What is the InChIKey of (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one?
The InChIKey is STLYCYIRZYOBDD-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H12N2OS/c19-16-13-5-1-2-6-14(13)18-8-7-11(15(18)17-16)10-12-4-3-9-20-12/h1-6,9-10H,7-8H2/b11-10+.
What are the key properties of (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one?
(3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one has a molecular weight of 280.35 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one is sourced from PubChem (CID 16832227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).