1,7a-dihydroindolo[2,1-a]isoquinoline

C16H13N — CID 150009460

IUPAC1,7a-dihydroindolo[2,1-a]isoquinoline
SMILESC1=CCC2=C3C=C4C=CC=CC4N3C=CC2=C1
InChIInChI=1S/C16H13N/c1-3-7-14-12(5-1)9-10-17-15-8-4-2-6-13(15)11-16(14)17/h1-6,8-11,15H,7H2
InChIKeySZYIJGXLLAFBSF-UHFFFAOYSA-N
MW219.29 g/mol
LogP3.39
Rot. Bonds

About 1,7a-dihydroindolo[2,1-a]isoquinoline

1,7a-dihydroindolo[2,1-a]isoquinoline (PubChem CID 150009460) has the molecular formula C16H13N and a molecular weight of 219.29 g/mol. Its IUPAC name is 1,7a-dihydroindolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name1,7a-dihydroindolo[2,1-a]isoquinoline
PubChem CID150009460
Molecular FormulaC16H13N
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC Name1,7a-dihydroindolo[2,1-a]isoquinoline
SMILESC1=CCC2=C3C=C4C=CC=CC4N3C=CC2=C1
InChIInChI=1S/C16H13N/c1-3-7-14-12(5-1)9-10-17-15-8-4-2-6-13(15)11-16(14)17/h1-6,8-11,15H,7H2
InChIKeySZYIJGXLLAFBSF-UHFFFAOYSA-N
XLogP3.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,7a-dihydroindolo[2,1-a]isoquinoline?
The IUPAC name of 1,7a-dihydroindolo[2,1-a]isoquinoline (CID 150009460) is 1,7a-dihydroindolo[2,1-a]isoquinoline.
What is the SMILES notation for 1,7a-dihydroindolo[2,1-a]isoquinoline?
The canonical SMILES for 1,7a-dihydroindolo[2,1-a]isoquinoline is C1=CCC2=C3C=C4C=CC=CC4N3C=CC2=C1.
What is the InChIKey of 1,7a-dihydroindolo[2,1-a]isoquinoline?
The InChIKey is SZYIJGXLLAFBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N/c1-3-7-14-12(5-1)9-10-17-15-8-4-2-6-13(15)11-16(14)17/h1-6,8-11,15H,7H2.
What are the key properties of 1,7a-dihydroindolo[2,1-a]isoquinoline?
1,7a-dihydroindolo[2,1-a]isoquinoline has a molecular weight of 219.29 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7a-dihydroindolo[2,1-a]isoquinoline is sourced from PubChem (CID 150009460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).