7H-pyrrolo[3,4-f]isoquinoline

C11H8N2 — CID 135407228

IUPAC7H-pyrrolo[3,4-f]isoquinoline
SMILESc1cc2c(ccc3cncc32)c[nH]1
InChIInChI=1S/C11H8N2/c1-2-9-6-13-7-11(9)10-3-4-12-5-8(1)10/h1-7,12H
InChIKeyWNFXZYWTBWIVSM-UHFFFAOYSA-N
MW168.20 g/mol
LogP2.72
Rot. Bonds

About 7H-pyrrolo[3,4-f]isoquinoline

7H-pyrrolo[3,4-f]isoquinoline (PubChem CID 135407228) has the molecular formula C11H8N2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 7H-pyrrolo[3,4-f]isoquinoline.

Molecular Properties

Compound Name7H-pyrrolo[3,4-f]isoquinoline
PubChem CID135407228
Molecular FormulaC11H8N2
Molecular Weight168.20 g/mol
Exact Mass168.07
IUPAC Name7H-pyrrolo[3,4-f]isoquinoline
SMILESc1cc2c(ccc3cncc32)c[nH]1
InChIInChI=1S/C11H8N2/c1-2-9-6-13-7-11(9)10-3-4-12-5-8(1)10/h1-7,12H
InChIKeyWNFXZYWTBWIVSM-UHFFFAOYSA-N
XLogP2.72
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7H-pyrrolo[3,4-f]isoquinoline?
The IUPAC name of 7H-pyrrolo[3,4-f]isoquinoline (CID 135407228) is 7H-pyrrolo[3,4-f]isoquinoline.
What is the SMILES notation for 7H-pyrrolo[3,4-f]isoquinoline?
The canonical SMILES for 7H-pyrrolo[3,4-f]isoquinoline is c1cc2c(ccc3cncc32)c[nH]1.
What is the InChIKey of 7H-pyrrolo[3,4-f]isoquinoline?
The InChIKey is WNFXZYWTBWIVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2/c1-2-9-6-13-7-11(9)10-3-4-12-5-8(1)10/h1-7,12H.
What are the key properties of 7H-pyrrolo[3,4-f]isoquinoline?
7H-pyrrolo[3,4-f]isoquinoline has a molecular weight of 168.20 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrrolo[3,4-f]isoquinoline is sourced from PubChem (CID 135407228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).