1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline

C11H12N2 — CID 67838209

IUPAC1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline
SMILESC1=c2ccccc2=NC2CCCN12
InChIInChI=1S/C11H12N2/c1-2-5-10-9(4-1)8-13-7-3-6-11(13)12-10/h1-2,4-5,8,11H,3,6-7H2
InChIKeyDCZBXLWJKSRVKN-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.48
Rot. Bonds

About 1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline

1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline (PubChem CID 67838209) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline.

Molecular Properties

Compound Name1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline
PubChem CID67838209
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline
SMILESC1=c2ccccc2=NC2CCCN12
InChIInChI=1S/C11H12N2/c1-2-5-10-9(4-1)8-13-7-3-6-11(13)12-10/h1-2,4-5,8,11H,3,6-7H2
InChIKeyDCZBXLWJKSRVKN-UHFFFAOYSA-N
XLogP0.48
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline?
The IUPAC name of 1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline (CID 67838209) is 1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline.
What is the SMILES notation for 1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline?
The canonical SMILES for 1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline is C1=c2ccccc2=NC2CCCN12.
What is the InChIKey of 1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline?
The InChIKey is DCZBXLWJKSRVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-2-5-10-9(4-1)8-13-7-3-6-11(13)12-10/h1-2,4-5,8,11H,3,6-7H2.
What are the key properties of 1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline?
1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline has a molecular weight of 172.23 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline is sourced from PubChem (CID 67838209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).