3-[1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene

C34H37N3 — CID 144650251

About 3-[1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene

3-[1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene (PubChem CID 144650251) has the molecular formula C34H37N3 and a molecular weight of 487.69 g/mol. Its IUPAC name is 3-[1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene.

Molecular Properties

• Compound Name: 3-[1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
• PubChem CID: 144650251
• Molecular Formula: C34H37N3
• Molecular Weight: 487.69 g/mol
• Exact Mass: 487.30
• IUPAC Name: 3-[1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
• SMILES: CC1CC=CC2=C1CCCN2CC(c1cn2c3c(cccc13)CCC2)c1cn2c3c(cccc13)CCC2
• InChI: InChI=1S/C34H37N3/c1-23-8-2-16-32-26(23)15-7-17-35(32)20-31(29-21-36-18-5-11-24-9-3-13-27(29)33(24)36)30-22-37-19-6-12-25-10-4-14-28(30)34(25)37/h2-4,9-10,13-14,16,21-23,31H,5-8,11-12,15,17-20H2,1H3
• InChIKey: WLSBCKGKULOFIH-UHFFFAOYSA-N
• XLogP: 7.57
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.69
LogP ≤ 5	7.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?

The IUPAC name of 3-[1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene (CID 144650251) is 3-[1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene.

What is the SMILES notation for 3-[1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?

The canonical SMILES for 3-[1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene is CC1CC=CC2=C1CCCN2CC(c1cn2c3c(cccc13)CCC2)c1cn2c3c(cccc13)CCC2.

What is the InChIKey of 3-[1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?

The InChIKey is WLSBCKGKULOFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N3/c1-23-8-2-16-32-26(23)15-7-17-35(32)20-31(29-21-36-18-5-11-24-9-3-13-27(29)33(24)36)30-22-37-19-6-12-25-10-4-14-28(30)34(25)37/h2-4,9-10,13-14,16,21-23,31H,5-8,11-12,15,17-20H2,1H3.

What are the key properties of 3-[1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?

3-[1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene has a molecular weight of 487.69 g/mol, XLogP of 7.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene is sourced from PubChem (CID 144650251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).