5,5,6,6,10-pentamethylpyrrolo[2,1-a]isoquinoline

C17H21N — CID 145272702

IUPAC5,5,6,6,10-pentamethylpyrrolo[2,1-a]isoquinoline
SMILESCc1cccc2c1-c1cccn1C(C)(C)C2(C)C
InChIInChI=1S/C17H21N/c1-12-8-6-9-13-15(12)14-10-7-11-18(14)17(4,5)16(13,2)3/h6-11H,1-5H3
InChIKeySZZDMAIHUUHZMR-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.49
Rot. Bonds

About 5,5,6,6,10-pentamethylpyrrolo[2,1-a]isoquinoline

5,5,6,6,10-pentamethylpyrrolo[2,1-a]isoquinoline (PubChem CID 145272702) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 5,5,6,6,10-pentamethylpyrrolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name5,5,6,6,10-pentamethylpyrrolo[2,1-a]isoquinoline
PubChem CID145272702
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name5,5,6,6,10-pentamethylpyrrolo[2,1-a]isoquinoline
SMILESCc1cccc2c1-c1cccn1C(C)(C)C2(C)C
InChIInChI=1S/C17H21N/c1-12-8-6-9-13-15(12)14-10-7-11-18(14)17(4,5)16(13,2)3/h6-11H,1-5H3
InChIKeySZZDMAIHUUHZMR-UHFFFAOYSA-N
XLogP4.49
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5,6,6,10-pentamethylpyrrolo[2,1-a]isoquinoline?
The IUPAC name of 5,5,6,6,10-pentamethylpyrrolo[2,1-a]isoquinoline (CID 145272702) is 5,5,6,6,10-pentamethylpyrrolo[2,1-a]isoquinoline.
What is the SMILES notation for 5,5,6,6,10-pentamethylpyrrolo[2,1-a]isoquinoline?
The canonical SMILES for 5,5,6,6,10-pentamethylpyrrolo[2,1-a]isoquinoline is Cc1cccc2c1-c1cccn1C(C)(C)C2(C)C.
What is the InChIKey of 5,5,6,6,10-pentamethylpyrrolo[2,1-a]isoquinoline?
The InChIKey is SZZDMAIHUUHZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-12-8-6-9-13-15(12)14-10-7-11-18(14)17(4,5)16(13,2)3/h6-11H,1-5H3.
What are the key properties of 5,5,6,6,10-pentamethylpyrrolo[2,1-a]isoquinoline?
5,5,6,6,10-pentamethylpyrrolo[2,1-a]isoquinoline has a molecular weight of 239.36 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,10-pentamethylpyrrolo[2,1-a]isoquinoline is sourced from PubChem (CID 145272702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).