N-[(2S,4R)-1-acetyl-2-methyl-6-(4-propylphenyl)-3,4-dihydro-2H-quinolin-4-yl]-3-[hydroxy(dimethyl)silyl]benzamide

C30H36N2O3Si — CID 147876779

About N-[(2S,4R)-1-acetyl-2-methyl-6-(4-propylphenyl)-3,4-dihydro-2H-quinolin-4-yl]-3-[hydroxy(dimethyl)silyl]benzamide

N-[(2S,4R)-1-acetyl-2-methyl-6-(4-propylphenyl)-3,4-dihydro-2H-quinolin-4-yl]-3-[hydroxy(dimethyl)silyl]benzamide (PubChem CID 147876779) has the molecular formula C30H36N2O3Si and a molecular weight of 500.72 g/mol. Its IUPAC name is N-[(2S,4R)-1-acetyl-2-methyl-6-(4-propylphenyl)-3,4-dihydro-2H-quinolin-4-yl]-3-[hydroxy(dimethyl)silyl]benzamide.

Molecular Properties

• Compound Name: N-[(2S,4R)-1-acetyl-2-methyl-6-(4-propylphenyl)-3,4-dihydro-2H-quinolin-4-yl]-3-[hydroxy(dimethyl)silyl]benzamide
• PubChem CID: 147876779
• Molecular Formula: C30H36N2O3Si
• Molecular Weight: 500.72 g/mol
• Exact Mass: 500.25
• IUPAC Name: N-[(2S,4R)-1-acetyl-2-methyl-6-(4-propylphenyl)-3,4-dihydro-2H-quinolin-4-yl]-3-[hydroxy(dimethyl)silyl]benzamide
• SMILES: CCCc1ccc(-c2ccc3c(c2)[C@H](NC(=O)c2cccc([Si](C)(C)O)c2)C[C@H](C)N3C(C)=O)cc1
• InChI: InChI=1S/C30H36N2O3Si/c1-6-8-22-11-13-23(14-12-22)24-15-16-29-27(19-24)28(17-20(2)32(29)21(3)33)31-30(34)25-9-7-10-26(18-25)36(4,5)35/h7,9-16,18-20,28,35H,6,8,17H2,1-5H3,(H,31,34)/t20-,28+/m0/s1
• InChIKey: HZRGIBLNZBAICD-WTYVLRPYSA-N
• XLogP: 5.33
• TPSA: 69.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.72
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R)-1-acetyl-2-methyl-6-(4-propylphenyl)-3,4-dihydro-2H-quinolin-4-yl]-3-[hydroxy(dimethyl)silyl]benzamide?

The IUPAC name of N-[(2S,4R)-1-acetyl-2-methyl-6-(4-propylphenyl)-3,4-dihydro-2H-quinolin-4-yl]-3-[hydroxy(dimethyl)silyl]benzamide (CID 147876779) is N-[(2S,4R)-1-acetyl-2-methyl-6-(4-propylphenyl)-3,4-dihydro-2H-quinolin-4-yl]-3-[hydroxy(dimethyl)silyl]benzamide.

What is the SMILES notation for N-[(2S,4R)-1-acetyl-2-methyl-6-(4-propylphenyl)-3,4-dihydro-2H-quinolin-4-yl]-3-[hydroxy(dimethyl)silyl]benzamide?

The canonical SMILES for N-[(2S,4R)-1-acetyl-2-methyl-6-(4-propylphenyl)-3,4-dihydro-2H-quinolin-4-yl]-3-[hydroxy(dimethyl)silyl]benzamide is CCCc1ccc(-c2ccc3c(c2)[C@H](NC(=O)c2cccc([Si](C)(C)O)c2)C[C@H](C)N3C(C)=O)cc1.

What is the InChIKey of N-[(2S,4R)-1-acetyl-2-methyl-6-(4-propylphenyl)-3,4-dihydro-2H-quinolin-4-yl]-3-[hydroxy(dimethyl)silyl]benzamide?

The InChIKey is HZRGIBLNZBAICD-WTYVLRPYSA-N. The full InChI is InChI=1S/C30H36N2O3Si/c1-6-8-22-11-13-23(14-12-22)24-15-16-29-27(19-24)28(17-20(2)32(29)21(3)33)31-30(34)25-9-7-10-26(18-25)36(4,5)35/h7,9-16,18-20,28,35H,6,8,17H2,1-5H3,(H,31,34)/t20-,28+/m0/s1.

What are the key properties of N-[(2S,4R)-1-acetyl-2-methyl-6-(4-propylphenyl)-3,4-dihydro-2H-quinolin-4-yl]-3-[hydroxy(dimethyl)silyl]benzamide?

N-[(2S,4R)-1-acetyl-2-methyl-6-(4-propylphenyl)-3,4-dihydro-2H-quinolin-4-yl]-3-[hydroxy(dimethyl)silyl]benzamide has a molecular weight of 500.72 g/mol, XLogP of 5.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,4R)-1-acetyl-2-methyl-6-(4-propylphenyl)-3,4-dihydro-2H-quinolin-4-yl]-3-[hydroxy(dimethyl)silyl]benzamide is sourced from PubChem (CID 147876779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).