(3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one

C20H18N2O3 — CID 5384829

IUPAC(3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
SMILESCOc1ccc(/C=C2\CCn3c2nc2ccccc2c3=O)cc1OC
InChIInChI=1S/C20H18N2O3/c1-24-17-8-7-13(12-18(17)25-2)11-14-9-10-22-19(14)21-16-6-4-3-5-15(16)20(22)23/h3-8,11-12H,9-10H2,1-2H3/b14-11+
InChIKeyYCBUZDBGGVGQAY-SDNWHVSQSA-N
MW334.38 g/mol
LogP3.36
Rot. Bonds3

About (3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one

(3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one (PubChem CID 5384829) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is (3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one.

Molecular Properties

Compound Name(3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
PubChem CID5384829
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name(3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
SMILESCOc1ccc(/C=C2\CCn3c2nc2ccccc2c3=O)cc1OC
InChIInChI=1S/C20H18N2O3/c1-24-17-8-7-13(12-18(17)25-2)11-14-9-10-22-19(14)21-16-6-4-3-5-15(16)20(22)23/h3-8,11-12H,9-10H2,1-2H3/b14-11+
InChIKeyYCBUZDBGGVGQAY-SDNWHVSQSA-N
XLogP3.36
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one?
The IUPAC name of (3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one (CID 5384829) is (3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one.
What is the SMILES notation for (3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one?
The canonical SMILES for (3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one is COc1ccc(/C=C2\CCn3c2nc2ccccc2c3=O)cc1OC.
What is the InChIKey of (3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one?
The InChIKey is YCBUZDBGGVGQAY-SDNWHVSQSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-24-17-8-7-13(12-18(17)25-2)11-14-9-10-22-19(14)21-16-6-4-3-5-15(16)20(22)23/h3-8,11-12H,9-10H2,1-2H3/b14-11+.
What are the key properties of (3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one?
(3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one has a molecular weight of 334.38 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one is sourced from PubChem (CID 5384829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).