6-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one

C23H33N3O2Si — CID 86679151

IUPAC6-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(-c3cncc(NCCO[Si](C)(C)C(C)(C)C)c3)ccc21
InChIInChI=1S/C23H33N3O2Si/c1-23(2,3)29(5,6)28-12-11-25-20-14-19(15-24-16-20)17-7-9-21-18(13-17)8-10-22(27)26(21)4/h7,9,13-16,25H,8,10-12H2,1-6H3
InChIKeyPMHCKCLWDPBNNV-UHFFFAOYSA-N
MW411.62 g/mol
LogP5.09
Rot. Bonds6

About 6-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one

6-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 86679151) has the molecular formula C23H33N3O2Si and a molecular weight of 411.62 g/mol. Its IUPAC name is 6-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID86679151
Molecular FormulaC23H33N3O2Si
Molecular Weight411.62 g/mol
Exact Mass411.23
IUPAC Name6-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(-c3cncc(NCCO[Si](C)(C)C(C)(C)C)c3)ccc21
InChIInChI=1S/C23H33N3O2Si/c1-23(2,3)29(5,6)28-12-11-25-20-14-19(15-24-16-20)17-7-9-21-18(13-17)8-10-22(27)26(21)4/h7,9,13-16,25H,8,10-12H2,1-6H3
InChIKeyPMHCKCLWDPBNNV-UHFFFAOYSA-N
XLogP5.09
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.62
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 86679151) is 6-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(-c3cncc(NCCO[Si](C)(C)C(C)(C)C)c3)ccc21.
What is the InChIKey of 6-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is PMHCKCLWDPBNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2Si/c1-23(2,3)29(5,6)28-12-11-25-20-14-19(15-24-16-20)17-7-9-21-18(13-17)8-10-22(27)26(21)4/h7,9,13-16,25H,8,10-12H2,1-6H3.
What are the key properties of 6-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
6-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 411.62 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 86679151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).