6-{5-[(S)-2-(tert-Butyl-dimethyl-silanyloxymethyl)-5-oxo-pyrrolidin-1-ylmethyl]-pyridin-3-yl}-1-methyl-3,4-dihydro-1H-quinolin-2-one

C27H35N3O3Si — CID 86679126

IUPAC—
SMILESCN1C(=O)CCc2cc(-c3cncc(CN4C(=O)CC[C@H]4C(C)(C)O[Si]C(C)(C)C)c3)ccc21
InChIInChI=1S/C27H35N3O3Si/c1-26(2,3)34-33-27(4,5)23-10-12-25(32)30(23)17-18-13-21(16-28-15-18)19-7-9-22-20(14-19)8-11-24(31)29(22)6/h7,9,13-16,23H,8,10-12,17H2,1-6H3/t23-/m0/s1
InChIKeyDIVYFXVILQSYGO-QHCPKHFHSA-N
MW477.68 g/mol
LogP4.78
Rot. Bonds6

About 6-{5-[(S)-2-(tert-Butyl-dimethyl-silanyloxymethyl)-5-oxo-pyrrolidin-1-ylmethyl]-pyridin-3-yl}-1-methyl-3,4-dihydro-1H-quinolin-2-one

6-{5-[(S)-2-(tert-Butyl-dimethyl-silanyloxymethyl)-5-oxo-pyrrolidin-1-ylmethyl]-pyridin-3-yl}-1-methyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 86679126) has the molecular formula C27H35N3O3Si and a molecular weight of 477.68 g/mol.

Molecular Properties

Compound Name6-{5-[(S)-2-(tert-Butyl-dimethyl-silanyloxymethyl)-5-oxo-pyrrolidin-1-ylmethyl]-pyridin-3-yl}-1-methyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID86679126
Molecular FormulaC27H35N3O3Si
Molecular Weight477.68 g/mol
Exact Mass477.24
IUPAC Name—
SMILESCN1C(=O)CCc2cc(-c3cncc(CN4C(=O)CC[C@H]4C(C)(C)O[Si]C(C)(C)C)c3)ccc21
InChIInChI=1S/C27H35N3O3Si/c1-26(2,3)34-33-27(4,5)23-10-12-25(32)30(23)17-18-13-21(16-28-15-18)19-7-9-22-20(14-19)8-11-24(31)29(22)6/h7,9,13-16,23H,8,10-12,17H2,1-6H3/t23-/m0/s1
InChIKeyDIVYFXVILQSYGO-QHCPKHFHSA-N
XLogP4.78
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.68
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 6-{5-[(S)-2-(tert-Butyl-dimethyl-silanyloxymethyl)-5-oxo-pyrrolidin-1-ylmethyl]-pyridin-3-yl}-1-methyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-{5-[(S)-2-(tert-Butyl-dimethyl-silanyloxymethyl)-5-oxo-pyrrolidin-1-ylmethyl]-pyridin-3-yl}-1-methyl-3,4-dihydro-1H-quinolin-2-one (CID 86679126) is not available.
What is the SMILES notation for 6-{5-[(S)-2-(tert-Butyl-dimethyl-silanyloxymethyl)-5-oxo-pyrrolidin-1-ylmethyl]-pyridin-3-yl}-1-methyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-{5-[(S)-2-(tert-Butyl-dimethyl-silanyloxymethyl)-5-oxo-pyrrolidin-1-ylmethyl]-pyridin-3-yl}-1-methyl-3,4-dihydro-1H-quinolin-2-one is CN1C(=O)CCc2cc(-c3cncc(CN4C(=O)CC[C@H]4C(C)(C)O[Si]C(C)(C)C)c3)ccc21.
What is the InChIKey of 6-{5-[(S)-2-(tert-Butyl-dimethyl-silanyloxymethyl)-5-oxo-pyrrolidin-1-ylmethyl]-pyridin-3-yl}-1-methyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is DIVYFXVILQSYGO-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H35N3O3Si/c1-26(2,3)34-33-27(4,5)23-10-12-25(32)30(23)17-18-13-21(16-28-15-18)19-7-9-22-20(14-19)8-11-24(31)29(22)6/h7,9,13-16,23H,8,10-12,17H2,1-6H3/t23-/m0/s1.
What are the key properties of 6-{5-[(S)-2-(tert-Butyl-dimethyl-silanyloxymethyl)-5-oxo-pyrrolidin-1-ylmethyl]-pyridin-3-yl}-1-methyl-3,4-dihydro-1H-quinolin-2-one?
6-{5-[(S)-2-(tert-Butyl-dimethyl-silanyloxymethyl)-5-oxo-pyrrolidin-1-ylmethyl]-pyridin-3-yl}-1-methyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 477.68 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-{5-[(S)-2-(tert-Butyl-dimethyl-silanyloxymethyl)-5-oxo-pyrrolidin-1-ylmethyl]-pyridin-3-yl}-1-methyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 86679126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).