1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-6-ol

C11H12N2O — CID 130034310

IUPAC1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-6-ol
SMILESOc1ccc2c(c1)N=C1CCCN1C2
InChIInChI=1S/C11H12N2O/c14-9-4-3-8-7-13-5-1-2-11(13)12-10(8)6-9/h3-4,6,14H,1-2,5,7H2
InChIKeyHZDFEHMEPHPWBX-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.03
Rot. Bonds

About 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-6-ol

1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-6-ol (PubChem CID 130034310) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-6-ol.

Molecular Properties

Compound Name1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-6-ol
PubChem CID130034310
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-6-ol
SMILESOc1ccc2c(c1)N=C1CCCN1C2
InChIInChI=1S/C11H12N2O/c14-9-4-3-8-7-13-5-1-2-11(13)12-10(8)6-9/h3-4,6,14H,1-2,5,7H2
InChIKeyHZDFEHMEPHPWBX-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
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-6-ol?
The IUPAC name of 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-6-ol (CID 130034310) is 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-6-ol.
What is the SMILES notation for 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-6-ol?
The canonical SMILES for 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-6-ol is Oc1ccc2c(c1)N=C1CCCN1C2.
What is the InChIKey of 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-6-ol?
The InChIKey is HZDFEHMEPHPWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c14-9-4-3-8-7-13-5-1-2-11(13)12-10(8)6-9/h3-4,6,14H,1-2,5,7H2.
What are the key properties of 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-6-ol?
1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-6-ol has a molecular weight of 188.23 g/mol, XLogP of 2.03, 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-6-ol is sourced from PubChem (CID 130034310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).