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

C11H12N2O — CID 667496

IUPAC(3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol
SMILESO[C@H]1CCN2Cc3ccccc3N=C12
InChIInChI=1S/C11H12N2O/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13/h1-4,10,14H,5-7H2/t10-/m0/s1
InChIKeyYIICVSCAKJMMDJ-JTQLQIEISA-N
MW188.23 g/mol
LogP1.30
Rot. Bonds

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

(3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol (PubChem CID 667496) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is (3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol.

Molecular Properties

Compound Name(3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol
PubChem CID667496
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name(3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol
SMILESO[C@H]1CCN2Cc3ccccc3N=C12
InChIInChI=1S/C11H12N2O/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13/h1-4,10,14H,5-7H2/t10-/m0/s1
InChIKeyYIICVSCAKJMMDJ-JTQLQIEISA-N
XLogP1.30
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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?
The IUPAC name of (3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol (CID 667496) is (3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol.
What is the SMILES notation for (3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol?
The canonical SMILES for (3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol is O[C@H]1CCN2Cc3ccccc3N=C12.
What is the InChIKey of (3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol?
The InChIKey is YIICVSCAKJMMDJ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12N2O/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13/h1-4,10,14H,5-7H2/t10-/m0/s1.
What are the key properties of (3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol?
(3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol has a molecular weight of 188.23 g/mol, XLogP of 1.30, 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 is sourced from PubChem (CID 667496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).