(3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydroiodide

C11H13IN2O — CID 86278122

IUPAC(3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydroiodide
SMILESI.O[C@H]1CCN2Cc3ccccc3N=C12
InChIInChI=1S/C11H12N2O.HI/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13;/h1-4,10,14H,5-7H2;1H/t10-;/m0./s1
InChIKeyLGDVKJUPIBJYFG-PPHPATTJSA-N
MW316.14 g/mol
LogP1.91
Rot. Bonds

About (3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydroiodide

(3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydroiodide (PubChem CID 86278122) has the molecular formula C11H13IN2O and a molecular weight of 316.14 g/mol. Its IUPAC name is (3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydroiodide.

Molecular Properties

Compound Name(3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydroiodide
PubChem CID86278122
Molecular FormulaC11H13IN2O
Molecular Weight316.14 g/mol
Exact Mass316.01
IUPAC Name(3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydroiodide
SMILESI.O[C@H]1CCN2Cc3ccccc3N=C12
InChIInChI=1S/C11H12N2O.HI/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13;/h1-4,10,14H,5-7H2;1H/t10-;/m0./s1
InChIKeyLGDVKJUPIBJYFG-PPHPATTJSA-N
XLogP1.91
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.14
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydroiodide?
The IUPAC name of (3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydroiodide (CID 86278122) is (3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydroiodide.
What is the SMILES notation for (3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydroiodide?
The canonical SMILES for (3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydroiodide is I.O[C@H]1CCN2Cc3ccccc3N=C12.
What is the InChIKey of (3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydroiodide?
The InChIKey is LGDVKJUPIBJYFG-PPHPATTJSA-N. The full InChI is InChI=1S/C11H12N2O.HI/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13;/h1-4,10,14H,5-7H2;1H/t10-;/m0./s1.
What are the key properties of (3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydroiodide?
(3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydroiodide has a molecular weight of 316.14 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydroiodide is sourced from PubChem (CID 86278122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).