2,3,4,4a,6,7-hexahydro-1H-isoquinolino[2,1-a]quinoline

C17H19N — CID 148547429

IUPAC2,3,4,4a,6,7-hexahydro-1H-isoquinolino[2,1-a]quinoline
SMILESC1=C2CCCCC2N2CCc3ccccc3C2=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/h1,3,5,7,9-10,16H,2,4,6,8,11-12H2
InChIKeySJZVCKCKORBKHB-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.77
Rot. Bonds

About 2,3,4,4a,6,7-hexahydro-1H-isoquinolino[2,1-a]quinoline

2,3,4,4a,6,7-hexahydro-1H-isoquinolino[2,1-a]quinoline (PubChem CID 148547429) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 2,3,4,4a,6,7-hexahydro-1H-isoquinolino[2,1-a]quinoline.

Molecular Properties

Compound Name2,3,4,4a,6,7-hexahydro-1H-isoquinolino[2,1-a]quinoline
PubChem CID148547429
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name2,3,4,4a,6,7-hexahydro-1H-isoquinolino[2,1-a]quinoline
SMILESC1=C2CCCCC2N2CCc3ccccc3C2=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/h1,3,5,7,9-10,16H,2,4,6,8,11-12H2
InChIKeySJZVCKCKORBKHB-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,4,4a,6,7-hexahydro-1H-isoquinolino[2,1-a]quinoline with MolForge

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Related Compounds

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tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
(13aS)-1,2,3,4,6,7,13,13a-octahydronaphtho[1,2-c]quinolizin-12-one
CID 95561967
2-(1-oxo-3,4-dihydroisoquinolin-2-yl)cycloheptane-1-carboxylic acid
CID 83091156
1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one
CID 13144291
1,2,3,4,11,11a-hexahydrobenzo[b]quinolizin-6-one
CID 2752792
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3H-isoindol-1-one
CID 11849900
1-[(2R)-oxolan-2-yl]-3,4-dihydroisoquinoline
CID 914243
2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
CID 4314166
2-(oxan-2-ylmethyl)-2,3-dihydroinden-1-one
CID 79428633
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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,6,7-hexahydro-1H-isoquinolino[2,1-a]quinoline?
The IUPAC name of 2,3,4,4a,6,7-hexahydro-1H-isoquinolino[2,1-a]quinoline (CID 148547429) is 2,3,4,4a,6,7-hexahydro-1H-isoquinolino[2,1-a]quinoline.
What is the SMILES notation for 2,3,4,4a,6,7-hexahydro-1H-isoquinolino[2,1-a]quinoline?
The canonical SMILES for 2,3,4,4a,6,7-hexahydro-1H-isoquinolino[2,1-a]quinoline is C1=C2CCCCC2N2CCc3ccccc3C2=C1.
What is the InChIKey of 2,3,4,4a,6,7-hexahydro-1H-isoquinolino[2,1-a]quinoline?
The InChIKey is SJZVCKCKORBKHB-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/h1,3,5,7,9-10,16H,2,4,6,8,11-12H2.
What are the key properties of 2,3,4,4a,6,7-hexahydro-1H-isoquinolino[2,1-a]quinoline?
2,3,4,4a,6,7-hexahydro-1H-isoquinolino[2,1-a]quinoline has a molecular weight of 237.35 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,6,7-hexahydro-1H-isoquinolino[2,1-a]quinoline is sourced from PubChem (CID 148547429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).