1H-pyrrolo[3,2-h]isoquinoline

C11H8N2 — CID 22622222

IUPAC1H-pyrrolo[3,2-h]isoquinoline
SMILESc1cc2ccc3cc[nH]c3c2cn1
InChIInChI=1S/C11H8N2/c1-2-9-4-6-13-11(9)10-7-12-5-3-8(1)10/h1-7,13H
InChIKeyZHNVAKDAIYEILP-UHFFFAOYSA-N
MW168.20 g/mol
LogP2.72
Rot. Bonds

About 1H-pyrrolo[3,2-h]isoquinoline

1H-pyrrolo[3,2-h]isoquinoline (PubChem CID 22622222) has the molecular formula C11H8N2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1H-pyrrolo[3,2-h]isoquinoline.

Molecular Properties

Compound Name1H-pyrrolo[3,2-h]isoquinoline
PubChem CID22622222
Molecular FormulaC11H8N2
Molecular Weight168.20 g/mol
Exact Mass168.07
IUPAC Name1H-pyrrolo[3,2-h]isoquinoline
SMILESc1cc2ccc3cc[nH]c3c2cn1
InChIInChI=1S/C11H8N2/c1-2-9-4-6-13-11(9)10-7-12-5-3-8(1)10/h1-7,13H
InChIKeyZHNVAKDAIYEILP-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 1H-pyrrolo[3,2-h]isoquinoline?
The IUPAC name of 1H-pyrrolo[3,2-h]isoquinoline (CID 22622222) is 1H-pyrrolo[3,2-h]isoquinoline.
What is the SMILES notation for 1H-pyrrolo[3,2-h]isoquinoline?
The canonical SMILES for 1H-pyrrolo[3,2-h]isoquinoline is c1cc2ccc3cc[nH]c3c2cn1.
What is the InChIKey of 1H-pyrrolo[3,2-h]isoquinoline?
The InChIKey is ZHNVAKDAIYEILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2/c1-2-9-4-6-13-11(9)10-7-12-5-3-8(1)10/h1-7,13H.
What are the key properties of 1H-pyrrolo[3,2-h]isoquinoline?
1H-pyrrolo[3,2-h]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 1H-pyrrolo[3,2-h]isoquinoline is sourced from PubChem (CID 22622222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).