8-fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol

C11H11FN2O — CID 44537689

IUPAC8-fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol
SMILESOC1c2c(F)cccc2N=C2CCCN21
InChIInChI=1S/C11H11FN2O/c12-7-3-1-4-8-10(7)11(15)14-6-2-5-9(14)13-8/h1,3-4,11,15H,2,5-6H2
InChIKeyTZNNDTQWUMANTB-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.96
Rot. Bonds

About 8-fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol

8-fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol (PubChem CID 44537689) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 8-fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol.

Molecular Properties

Compound Name8-fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol
PubChem CID44537689
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name8-fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol
SMILESOC1c2c(F)cccc2N=C2CCCN21
InChIInChI=1S/C11H11FN2O/c12-7-3-1-4-8-10(7)11(15)14-6-2-5-9(14)13-8/h1,3-4,11,15H,2,5-6H2
InChIKeyTZNNDTQWUMANTB-UHFFFAOYSA-N
XLogP1.96
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol?
The IUPAC name of 8-fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol (CID 44537689) is 8-fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol.
What is the SMILES notation for 8-fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol?
The canonical SMILES for 8-fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol is OC1c2c(F)cccc2N=C2CCCN21.
What is the InChIKey of 8-fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol?
The InChIKey is TZNNDTQWUMANTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c12-7-3-1-4-8-10(7)11(15)14-6-2-5-9(14)13-8/h1,3-4,11,15H,2,5-6H2.
What are the key properties of 8-fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol?
8-fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol has a molecular weight of 206.22 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol is sourced from PubChem (CID 44537689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).