1-[1-[[4-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-1H-inden-1-yl]methyl]-2-methyl-1H-inden-4-yl]-2-methyl-3,4-dihydro-2H-quinoline

C40H40N2 — CID 122433936

About 1-[1-[[4-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-1H-inden-1-yl]methyl]-2-methyl-1H-inden-4-yl]-2-methyl-3,4-dihydro-2H-quinoline

1-[1-[[4-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-1H-inden-1-yl]methyl]-2-methyl-1H-inden-4-yl]-2-methyl-3,4-dihydro-2H-quinoline (PubChem CID 122433936) has the molecular formula C40H40N2 and a molecular weight of 548.77 g/mol. Its IUPAC name is 1-[1-[[4-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-1H-inden-1-yl]methyl]-2-methyl-1H-inden-4-yl]-2-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

• Compound Name: 1-[1-[[4-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-1H-inden-1-yl]methyl]-2-methyl-1H-inden-4-yl]-2-methyl-3,4-dihydro-2H-quinoline
• PubChem CID: 122433936
• Molecular Formula: C40H40N2
• Molecular Weight: 548.77 g/mol
• Exact Mass: 548.32
• IUPAC Name: 1-[1-[[4-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-1H-inden-1-yl]methyl]-2-methyl-1H-inden-4-yl]-2-methyl-3,4-dihydro-2H-quinoline
• SMILES: CC1=Cc2c(cccc2N2CCCc3ccccc32)C1CC1C(C)=Cc2c1cccc2N1c2ccccc2CCC1C
• InChI: InChI=1S/C40H40N2/c1-26-23-35-31(14-8-18-39(35)41-22-10-13-29-11-4-6-16-37(29)41)33(26)25-34-27(2)24-36-32(34)15-9-19-40(36)42-28(3)20-21-30-12-5-7-17-38(30)42/h4-9,11-12,14-19,23-24,28,33-34H,10,13,20-22,25H2,1-3H3
• InChIKey: JAMFIEPUICGQTB-UHFFFAOYSA-N
• XLogP: 10.34
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.77
LogP ≤ 5	10.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-1H-inden-1-yl]methyl]-2-methyl-1H-inden-4-yl]-2-methyl-3,4-dihydro-2H-quinoline?

The IUPAC name of 1-[1-[[4-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-1H-inden-1-yl]methyl]-2-methyl-1H-inden-4-yl]-2-methyl-3,4-dihydro-2H-quinoline (CID 122433936) is 1-[1-[[4-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-1H-inden-1-yl]methyl]-2-methyl-1H-inden-4-yl]-2-methyl-3,4-dihydro-2H-quinoline.

What is the SMILES notation for 1-[1-[[4-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-1H-inden-1-yl]methyl]-2-methyl-1H-inden-4-yl]-2-methyl-3,4-dihydro-2H-quinoline?

The canonical SMILES for 1-[1-[[4-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-1H-inden-1-yl]methyl]-2-methyl-1H-inden-4-yl]-2-methyl-3,4-dihydro-2H-quinoline is CC1=Cc2c(cccc2N2CCCc3ccccc32)C1CC1C(C)=Cc2c1cccc2N1c2ccccc2CCC1C.

What is the InChIKey of 1-[1-[[4-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-1H-inden-1-yl]methyl]-2-methyl-1H-inden-4-yl]-2-methyl-3,4-dihydro-2H-quinoline?

The InChIKey is JAMFIEPUICGQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40N2/c1-26-23-35-31(14-8-18-39(35)41-22-10-13-29-11-4-6-16-37(29)41)33(26)25-34-27(2)24-36-32(34)15-9-19-40(36)42-28(3)20-21-30-12-5-7-17-38(30)42/h4-9,11-12,14-19,23-24,28,33-34H,10,13,20-22,25H2,1-3H3.

What are the key properties of 1-[1-[[4-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-1H-inden-1-yl]methyl]-2-methyl-1H-inden-4-yl]-2-methyl-3,4-dihydro-2H-quinoline?

1-[1-[[4-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-1H-inden-1-yl]methyl]-2-methyl-1H-inden-4-yl]-2-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 548.77 g/mol, XLogP of 10.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[[4-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-1H-inden-1-yl]methyl]-2-methyl-1H-inden-4-yl]-2-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 122433936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).