methyl (2S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-oxo-2,3-dihydro-1H-quinoline-6-carboxylate

C20H31NO4Si — CID 101152635

IUPACmethyl (2S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-oxo-2,3-dihydro-1H-quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(=O)C[C@H](CCCO[Si](C)(C)C(C)(C)C)N2
InChIInChI=1S/C20H31NO4Si/c1-20(2,3)26(5,6)25-11-7-8-15-13-18(22)16-12-14(19(23)24-4)9-10-17(16)21-15/h9-10,12,15,21H,7-8,11,13H2,1-6H3/t15-/m0/s1
InChIKeyANNMOOFBEIBQKB-HNNXBMFYSA-N
MW377.56 g/mol
LogP4.64
Rot. Bonds6

About methyl (2S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-oxo-2,3-dihydro-1H-quinoline-6-carboxylate

methyl (2S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-oxo-2,3-dihydro-1H-quinoline-6-carboxylate (PubChem CID 101152635) has the molecular formula C20H31NO4Si and a molecular weight of 377.56 g/mol. Its IUPAC name is methyl (2S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-oxo-2,3-dihydro-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-oxo-2,3-dihydro-1H-quinoline-6-carboxylate
PubChem CID101152635
Molecular FormulaC20H31NO4Si
Molecular Weight377.56 g/mol
Exact Mass377.20
IUPAC Namemethyl (2S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-oxo-2,3-dihydro-1H-quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(=O)C[C@H](CCCO[Si](C)(C)C(C)(C)C)N2
InChIInChI=1S/C20H31NO4Si/c1-20(2,3)26(5,6)25-11-7-8-15-13-18(22)16-12-14(19(23)24-4)9-10-17(16)21-15/h9-10,12,15,21H,7-8,11,13H2,1-6H3/t15-/m0/s1
InChIKeyANNMOOFBEIBQKB-HNNXBMFYSA-N
XLogP4.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.56
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-oxo-2,3-dihydro-1H-quinoline-6-carboxylate?
The IUPAC name of methyl (2S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-oxo-2,3-dihydro-1H-quinoline-6-carboxylate (CID 101152635) is methyl (2S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-oxo-2,3-dihydro-1H-quinoline-6-carboxylate.
What is the SMILES notation for methyl (2S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-oxo-2,3-dihydro-1H-quinoline-6-carboxylate?
The canonical SMILES for methyl (2S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-oxo-2,3-dihydro-1H-quinoline-6-carboxylate is COC(=O)c1ccc2c(c1)C(=O)C[C@H](CCCO[Si](C)(C)C(C)(C)C)N2.
What is the InChIKey of methyl (2S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-oxo-2,3-dihydro-1H-quinoline-6-carboxylate?
The InChIKey is ANNMOOFBEIBQKB-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H31NO4Si/c1-20(2,3)26(5,6)25-11-7-8-15-13-18(22)16-12-14(19(23)24-4)9-10-17(16)21-15/h9-10,12,15,21H,7-8,11,13H2,1-6H3/t15-/m0/s1.
What are the key properties of methyl (2S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-oxo-2,3-dihydro-1H-quinoline-6-carboxylate?
methyl (2S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-oxo-2,3-dihydro-1H-quinoline-6-carboxylate has a molecular weight of 377.56 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-oxo-2,3-dihydro-1H-quinoline-6-carboxylate is sourced from PubChem (CID 101152635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).