[6-(2,6-diethylphenyl)-4-(propan-2-yloxymethyl)-3-pyridinyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone

C30H33F3N2O2 — CID 67266530

About [6-(2,6-diethylphenyl)-4-(propan-2-yloxymethyl)-3-pyridinyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone

[6-(2,6-diethylphenyl)-4-(propan-2-yloxymethyl)-3-pyridinyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 67266530) has the molecular formula C30H33F3N2O2 and a molecular weight of 510.60 g/mol. Its IUPAC name is [6-(2,6-diethylphenyl)-4-(propan-2-yloxymethyl)-3-pyridinyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

• Compound Name: [6-(2,6-diethylphenyl)-4-(propan-2-yloxymethyl)-3-pyridinyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
• PubChem CID: 67266530
• Molecular Formula: C30H33F3N2O2
• Molecular Weight: 510.60 g/mol
• Exact Mass: 510.25
• IUPAC Name: [6-(2,6-diethylphenyl)-4-(propan-2-yloxymethyl)-3-pyridinyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
• SMILES: CCc1cccc(CC)c1-c1cc(COC(C)C)c(C(=O)N2CCCc3ccc(C(F)(F)F)cc32)cn1
• InChI: InChI=1S/C30H33F3N2O2/c1-5-20-9-7-10-21(6-2)28(20)26-15-23(18-37-19(3)4)25(17-34-26)29(36)35-14-8-11-22-12-13-24(16-27(22)35)30(31,32)33/h7,9-10,12-13,15-17,19H,5-6,8,11,14,18H2,1-4H3
• InChIKey: LXIMKEKLNSZXTM-UHFFFAOYSA-N
• XLogP: 7.41
• TPSA: 42.43 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.60
LogP ≤ 5	7.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [6-(2,6-diethylphenyl)-4-(propan-2-yloxymethyl)-3-pyridinyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?

The IUPAC name of [6-(2,6-diethylphenyl)-4-(propan-2-yloxymethyl)-3-pyridinyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 67266530) is [6-(2,6-diethylphenyl)-4-(propan-2-yloxymethyl)-3-pyridinyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone.

What is the SMILES notation for [6-(2,6-diethylphenyl)-4-(propan-2-yloxymethyl)-3-pyridinyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?

The canonical SMILES for [6-(2,6-diethylphenyl)-4-(propan-2-yloxymethyl)-3-pyridinyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone is CCc1cccc(CC)c1-c1cc(COC(C)C)c(C(=O)N2CCCc3ccc(C(F)(F)F)cc32)cn1.

What is the InChIKey of [6-(2,6-diethylphenyl)-4-(propan-2-yloxymethyl)-3-pyridinyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?

The InChIKey is LXIMKEKLNSZXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F3N2O2/c1-5-20-9-7-10-21(6-2)28(20)26-15-23(18-37-19(3)4)25(17-34-26)29(36)35-14-8-11-22-12-13-24(16-27(22)35)30(31,32)33/h7,9-10,12-13,15-17,19H,5-6,8,11,14,18H2,1-4H3.

What are the key properties of [6-(2,6-diethylphenyl)-4-(propan-2-yloxymethyl)-3-pyridinyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?

[6-(2,6-diethylphenyl)-4-(propan-2-yloxymethyl)-3-pyridinyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 510.60 g/mol, XLogP of 7.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(2,6-diethylphenyl)-4-(propan-2-yloxymethyl)-3-pyridinyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 67266530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).