8-triethylsilyloxy-5,6,7,8-tetrahydroquinoline-6-carboxylic acid

C16H25NO3Si — CID 23157139

IUPAC8-triethylsilyloxy-5,6,7,8-tetrahydroquinoline-6-carboxylic acid
SMILESCC[Si](CC)(CC)OC1CC(C(=O)O)Cc2cccnc21
InChIInChI=1S/C16H25NO3Si/c1-4-21(5-2,6-3)20-14-11-13(16(18)19)10-12-8-7-9-17-15(12)14/h7-9,13-14H,4-6,10-11H2,1-3H3,(H,18,19)
InChIKeyFSQJHDRLAFNNSW-UHFFFAOYSA-N
MW307.47 g/mol
LogP3.79
Rot. Bonds6

About 8-triethylsilyloxy-5,6,7,8-tetrahydroquinoline-6-carboxylic acid

8-triethylsilyloxy-5,6,7,8-tetrahydroquinoline-6-carboxylic acid (PubChem CID 23157139) has the molecular formula C16H25NO3Si and a molecular weight of 307.47 g/mol. Its IUPAC name is 8-triethylsilyloxy-5,6,7,8-tetrahydroquinoline-6-carboxylic acid.

Molecular Properties

Compound Name8-triethylsilyloxy-5,6,7,8-tetrahydroquinoline-6-carboxylic acid
PubChem CID23157139
Molecular FormulaC16H25NO3Si
Molecular Weight307.47 g/mol
Exact Mass307.16
IUPAC Name8-triethylsilyloxy-5,6,7,8-tetrahydroquinoline-6-carboxylic acid
SMILESCC[Si](CC)(CC)OC1CC(C(=O)O)Cc2cccnc21
InChIInChI=1S/C16H25NO3Si/c1-4-21(5-2,6-3)20-14-11-13(16(18)19)10-12-8-7-9-17-15(12)14/h7-9,13-14H,4-6,10-11H2,1-3H3,(H,18,19)
InChIKeyFSQJHDRLAFNNSW-UHFFFAOYSA-N
XLogP3.79
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-triethylsilyloxy-5,6,7,8-tetrahydroquinoline-6-carboxylic acid?
The IUPAC name of 8-triethylsilyloxy-5,6,7,8-tetrahydroquinoline-6-carboxylic acid (CID 23157139) is 8-triethylsilyloxy-5,6,7,8-tetrahydroquinoline-6-carboxylic acid.
What is the SMILES notation for 8-triethylsilyloxy-5,6,7,8-tetrahydroquinoline-6-carboxylic acid?
The canonical SMILES for 8-triethylsilyloxy-5,6,7,8-tetrahydroquinoline-6-carboxylic acid is CC[Si](CC)(CC)OC1CC(C(=O)O)Cc2cccnc21.
What is the InChIKey of 8-triethylsilyloxy-5,6,7,8-tetrahydroquinoline-6-carboxylic acid?
The InChIKey is FSQJHDRLAFNNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3Si/c1-4-21(5-2,6-3)20-14-11-13(16(18)19)10-12-8-7-9-17-15(12)14/h7-9,13-14H,4-6,10-11H2,1-3H3,(H,18,19).
What are the key properties of 8-triethylsilyloxy-5,6,7,8-tetrahydroquinoline-6-carboxylic acid?
8-triethylsilyloxy-5,6,7,8-tetrahydroquinoline-6-carboxylic acid has a molecular weight of 307.47 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-triethylsilyloxy-5,6,7,8-tetrahydroquinoline-6-carboxylic acid is sourced from PubChem (CID 23157139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).