(3E)-3-[(2-bromophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-imine

C18H14BrN3 — CID 11360133

IUPAC(3E)-3-[(2-bromophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-imine
SMILES[H]/N=c1\c2ccccc2nc2n1CC/C2=C\c1ccccc1Br
InChIInChI=1S/C18H14BrN3/c19-15-7-3-1-5-12(15)11-13-9-10-22-17(20)14-6-2-4-8-16(14)21-18(13)22/h1-8,11,20H,9-10H2/b13-11+,20-17+
InChIKeyOESFMASRZIGVME-JKSGFAINSA-N
MW352.24 g/mol
LogP4.22
Rot. Bonds1

About (3E)-3-[(2-bromophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-imine

(3E)-3-[(2-bromophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-imine (PubChem CID 11360133) has the molecular formula C18H14BrN3 and a molecular weight of 352.24 g/mol. Its IUPAC name is (3E)-3-[(2-bromophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-imine.

Molecular Properties

Compound Name(3E)-3-[(2-bromophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-imine
PubChem CID11360133
Molecular FormulaC18H14BrN3
Molecular Weight352.24 g/mol
Exact Mass351.04
IUPAC Name(3E)-3-[(2-bromophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-imine
SMILES[H]/N=c1\c2ccccc2nc2n1CC/C2=C\c1ccccc1Br
InChIInChI=1S/C18H14BrN3/c19-15-7-3-1-5-12(15)11-13-9-10-22-17(20)14-6-2-4-8-16(14)21-18(13)22/h1-8,11,20H,9-10H2/b13-11+,20-17+
InChIKeyOESFMASRZIGVME-JKSGFAINSA-N
XLogP4.22
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3E)-3-[(2-bromophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(2-bromophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-imine?
The IUPAC name of (3E)-3-[(2-bromophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-imine (CID 11360133) is (3E)-3-[(2-bromophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-imine.
What is the SMILES notation for (3E)-3-[(2-bromophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-imine?
The canonical SMILES for (3E)-3-[(2-bromophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-imine is [H]/N=c1\c2ccccc2nc2n1CC/C2=C\c1ccccc1Br.
What is the InChIKey of (3E)-3-[(2-bromophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-imine?
The InChIKey is OESFMASRZIGVME-JKSGFAINSA-N. The full InChI is InChI=1S/C18H14BrN3/c19-15-7-3-1-5-12(15)11-13-9-10-22-17(20)14-6-2-4-8-16(14)21-18(13)22/h1-8,11,20H,9-10H2/b13-11+,20-17+.
What are the key properties of (3E)-3-[(2-bromophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-imine?
(3E)-3-[(2-bromophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-imine has a molecular weight of 352.24 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2-bromophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-imine is sourced from PubChem (CID 11360133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).