1-[(2S)-2-methyl-6-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone

C26H38N2O3 — CID 118086296

About 1-[(2S)-2-methyl-6-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[(2S)-2-methyl-6-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 118086296) has the molecular formula C26H38N2O3 and a molecular weight of 426.60 g/mol. Its IUPAC name is 1-[(2S)-2-methyl-6-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(2S)-2-methyl-6-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone
• PubChem CID: 118086296
• Molecular Formula: C26H38N2O3
• Molecular Weight: 426.60 g/mol
• Exact Mass: 426.29
• IUPAC Name: 1-[(2S)-2-methyl-6-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone
• SMILES: C=C(OC(C)(C)C)N1CC=C(c2ccc3c(c2OCCC)CC[C@H](C)N3C(C)=O)CC1
• InChI: InChI=1S/C26H38N2O3/c1-8-17-30-25-22(11-12-24-23(25)10-9-18(2)28(24)19(3)29)21-13-15-27(16-14-21)20(4)31-26(5,6)7/h11-13,18H,4,8-10,14-17H2,1-3,5-7H3/t18-/m0/s1
• InChIKey: RSNIDULVLSCSQY-SFHVURJKSA-N
• XLogP: 5.54
• TPSA: 42.01 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.60
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methyl-6-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone?

The IUPAC name of 1-[(2S)-2-methyl-6-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 118086296) is 1-[(2S)-2-methyl-6-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone.

What is the SMILES notation for 1-[(2S)-2-methyl-6-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone?

The canonical SMILES for 1-[(2S)-2-methyl-6-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone is C=C(OC(C)(C)C)N1CC=C(c2ccc3c(c2OCCC)CC[C@H](C)N3C(C)=O)CC1.

What is the InChIKey of 1-[(2S)-2-methyl-6-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone?

The InChIKey is RSNIDULVLSCSQY-SFHVURJKSA-N. The full InChI is InChI=1S/C26H38N2O3/c1-8-17-30-25-22(11-12-24-23(25)10-9-18(2)28(24)19(3)29)21-13-15-27(16-14-21)20(4)31-26(5,6)7/h11-13,18H,4,8-10,14-17H2,1-3,5-7H3/t18-/m0/s1.

What are the key properties of 1-[(2S)-2-methyl-6-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone?

1-[(2S)-2-methyl-6-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 426.60 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-methyl-6-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 118086296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).