1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydrochloride

C11H13ClN2O — CID 23448499

IUPAC1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydrochloride
SMILESCl.OC1CCN2Cc3ccccc3N=C12
InChIInChI=1S/C11H12N2O.ClH/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13;/h1-4,10,14H,5-7H2;1H
InChIKeyCSDQSAHJCAKJPT-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.72
Rot. Bonds

About 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydrochloride

1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydrochloride (PubChem CID 23448499) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydrochloride.

Molecular Properties

Compound Name1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydrochloride
PubChem CID23448499
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydrochloride
SMILESCl.OC1CCN2Cc3ccccc3N=C12
InChIInChI=1S/C11H12N2O.ClH/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13;/h1-4,10,14H,5-7H2;1H
InChIKeyCSDQSAHJCAKJPT-UHFFFAOYSA-N
XLogP1.72
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydrochloride?
The IUPAC name of 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydrochloride (CID 23448499) is 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydrochloride.
What is the SMILES notation for 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydrochloride?
The canonical SMILES for 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydrochloride is Cl.OC1CCN2Cc3ccccc3N=C12.
What is the InChIKey of 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydrochloride?
The InChIKey is CSDQSAHJCAKJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.ClH/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13;/h1-4,10,14H,5-7H2;1H.
What are the key properties of 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydrochloride?
1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydrochloride has a molecular weight of 224.69 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydrochloride is sourced from PubChem (CID 23448499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).