3-[3-(2,2-dimethylpropyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]propanamide

C28H36N2O — CID 69154147

About 3-[3-(2,2-dimethylpropyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]propanamide

3-[3-(2,2-dimethylpropyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]propanamide (PubChem CID 69154147) has the molecular formula C28H36N2O and a molecular weight of 416.61 g/mol. Its IUPAC name is 3-[3-(2,2-dimethylpropyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]propanamide.

Molecular Properties

• Compound Name: 3-[3-(2,2-dimethylpropyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]propanamide
• PubChem CID: 69154147
• Molecular Formula: C28H36N2O
• Molecular Weight: 416.61 g/mol
• Exact Mass: 416.28
• IUPAC Name: 3-[3-(2,2-dimethylpropyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]propanamide
• SMILES: Cc1ccc(-c2c(CC(C)(C)C)c(CC(C)C)nc3ccc(CCC(N)=O)cc23)cc1
• InChI: InChI=1S/C28H36N2O/c1-18(2)15-25-23(17-28(4,5)6)27(21-11-7-19(3)8-12-21)22-16-20(10-14-26(29)31)9-13-24(22)30-25/h7-9,11-13,16,18H,10,14-15,17H2,1-6H3,(H2,29,31)
• InChIKey: RFDHZGANUVYWLU-UHFFFAOYSA-N
• XLogP: 6.42
• TPSA: 55.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.61
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2-dimethylpropyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]propanamide?

The IUPAC name of 3-[3-(2,2-dimethylpropyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]propanamide (CID 69154147) is 3-[3-(2,2-dimethylpropyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]propanamide.

What is the SMILES notation for 3-[3-(2,2-dimethylpropyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]propanamide?

The canonical SMILES for 3-[3-(2,2-dimethylpropyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]propanamide is Cc1ccc(-c2c(CC(C)(C)C)c(CC(C)C)nc3ccc(CCC(N)=O)cc23)cc1.

What is the InChIKey of 3-[3-(2,2-dimethylpropyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]propanamide?

The InChIKey is RFDHZGANUVYWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O/c1-18(2)15-25-23(17-28(4,5)6)27(21-11-7-19(3)8-12-21)22-16-20(10-14-26(29)31)9-13-24(22)30-25/h7-9,11-13,16,18H,10,14-15,17H2,1-6H3,(H2,29,31).

What are the key properties of 3-[3-(2,2-dimethylpropyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]propanamide?

3-[3-(2,2-dimethylpropyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]propanamide has a molecular weight of 416.61 g/mol, XLogP of 6.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(2,2-dimethylpropyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]propanamide is sourced from PubChem (CID 69154147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).