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

C11H12N2O — CID 3756584

IUPAC1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol
SMILESOC1c2ccccc2N=C2CCCN21
InChIInChI=1S/C11H12N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5,11,14H,3,6-7H2
InChIKeyRDWJAMWCGSWTQS-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.82
Rot. Bonds

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

1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol (PubChem CID 3756584) 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-9-ol.

Molecular Properties

Compound Name1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol
PubChem CID3756584
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol
SMILESOC1c2ccccc2N=C2CCCN21
InChIInChI=1S/C11H12N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5,11,14H,3,6-7H2
InChIKeyRDWJAMWCGSWTQS-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
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-9-ol?
The IUPAC name of 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol (CID 3756584) is 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol.
What is the SMILES notation for 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol?
The canonical SMILES for 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol is OC1c2ccccc2N=C2CCCN21.
What is the InChIKey of 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol?
The InChIKey is RDWJAMWCGSWTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5,11,14H,3,6-7H2.
What are the key properties of 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol?
1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol has a molecular weight of 188.23 g/mol, XLogP of 1.82, 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-9-ol is sourced from PubChem (CID 3756584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).