6,7,7a,11a,11b,13a-hexahydro-4aH-isoquinolino[2,1-a]quinoline

C17H19N — CID 57088387

IUPAC6,7,7a,11a,11b,13a-hexahydro-4aH-isoquinolino[2,1-a]quinoline
SMILESC1=CC2C=CC3C4C=CC=CC4CCN3C2C=C1
InChIInChI=1S/C17H19N/c1-3-7-15-13(5-1)11-12-18-16-8-4-2-6-14(16)9-10-17(15)18/h1-10,13-17H,11-12H2
InChIKeySCGGQNYAKCQJEG-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.10
Rot. Bonds

About 6,7,7a,11a,11b,13a-hexahydro-4aH-isoquinolino[2,1-a]quinoline

6,7,7a,11a,11b,13a-hexahydro-4aH-isoquinolino[2,1-a]quinoline (PubChem CID 57088387) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 6,7,7a,11a,11b,13a-hexahydro-4aH-isoquinolino[2,1-a]quinoline.

Molecular Properties

Compound Name6,7,7a,11a,11b,13a-hexahydro-4aH-isoquinolino[2,1-a]quinoline
PubChem CID57088387
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name6,7,7a,11a,11b,13a-hexahydro-4aH-isoquinolino[2,1-a]quinoline
SMILESC1=CC2C=CC3C4C=CC=CC4CCN3C2C=C1
InChIInChI=1S/C17H19N/c1-3-7-15-13(5-1)11-12-18-16-8-4-2-6-14(16)9-10-17(15)18/h1-10,13-17H,11-12H2
InChIKeySCGGQNYAKCQJEG-UHFFFAOYSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7,7a,11a,11b,13a-hexahydro-4aH-isoquinolino[2,1-a]quinoline?
The IUPAC name of 6,7,7a,11a,11b,13a-hexahydro-4aH-isoquinolino[2,1-a]quinoline (CID 57088387) is 6,7,7a,11a,11b,13a-hexahydro-4aH-isoquinolino[2,1-a]quinoline.
What is the SMILES notation for 6,7,7a,11a,11b,13a-hexahydro-4aH-isoquinolino[2,1-a]quinoline?
The canonical SMILES for 6,7,7a,11a,11b,13a-hexahydro-4aH-isoquinolino[2,1-a]quinoline is C1=CC2C=CC3C4C=CC=CC4CCN3C2C=C1.
What is the InChIKey of 6,7,7a,11a,11b,13a-hexahydro-4aH-isoquinolino[2,1-a]quinoline?
The InChIKey is SCGGQNYAKCQJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-3-7-15-13(5-1)11-12-18-16-8-4-2-6-14(16)9-10-17(15)18/h1-10,13-17H,11-12H2.
What are the key properties of 6,7,7a,11a,11b,13a-hexahydro-4aH-isoquinolino[2,1-a]quinoline?
6,7,7a,11a,11b,13a-hexahydro-4aH-isoquinolino[2,1-a]quinoline has a molecular weight of 237.35 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,7a,11a,11b,13a-hexahydro-4aH-isoquinolino[2,1-a]quinoline is sourced from PubChem (CID 57088387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).