3aH-pyrrolo[3,2-b]quinoline

C11H8N2 — CID 90322109

IUPAC3aH-pyrrolo[3,2-b]quinoline
SMILESC1=CC2N=c3ccccc3=CC2=N1
InChIInChI=1S/C11H8N2/c1-2-4-9-8(3-1)7-11-10(13-9)5-6-12-11/h1-7,10H
InChIKeyCWTGJNHKZSVQMW-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.44
Rot. Bonds

About 3aH-pyrrolo[3,2-b]quinoline

3aH-pyrrolo[3,2-b]quinoline (PubChem CID 90322109) has the molecular formula C11H8N2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3aH-pyrrolo[3,2-b]quinoline.

Molecular Properties

Compound Name3aH-pyrrolo[3,2-b]quinoline
PubChem CID90322109
Molecular FormulaC11H8N2
Molecular Weight168.20 g/mol
Exact Mass168.07
IUPAC Name3aH-pyrrolo[3,2-b]quinoline
SMILESC1=CC2N=c3ccccc3=CC2=N1
InChIInChI=1S/C11H8N2/c1-2-4-9-8(3-1)7-11-10(13-9)5-6-12-11/h1-7,10H
InChIKeyCWTGJNHKZSVQMW-UHFFFAOYSA-N
XLogP0.44
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3aH-pyrrolo[3,2-b]quinoline?
The IUPAC name of 3aH-pyrrolo[3,2-b]quinoline (CID 90322109) is 3aH-pyrrolo[3,2-b]quinoline.
What is the SMILES notation for 3aH-pyrrolo[3,2-b]quinoline?
The canonical SMILES for 3aH-pyrrolo[3,2-b]quinoline is C1=CC2N=c3ccccc3=CC2=N1.
What is the InChIKey of 3aH-pyrrolo[3,2-b]quinoline?
The InChIKey is CWTGJNHKZSVQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2/c1-2-4-9-8(3-1)7-11-10(13-9)5-6-12-11/h1-7,10H.
What are the key properties of 3aH-pyrrolo[3,2-b]quinoline?
3aH-pyrrolo[3,2-b]quinoline has a molecular weight of 168.20 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3aH-pyrrolo[3,2-b]quinoline is sourced from PubChem (CID 90322109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).