5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyheptyl]-8-phenylmethoxy-1H-quinolin-2-one

C29H41NO4Si — CID 175343725

IUPAC5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyheptyl]-8-phenylmethoxy-1H-quinolin-2-one
SMILESCCCCC(O)C[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12
InChIInChI=1S/C29H41NO4Si/c1-7-8-14-22(31)19-26(34-35(5,6)29(2,3)4)23-15-17-25(28-24(23)16-18-27(32)30-28)33-20-21-12-10-9-11-13-21/h9-13,15-18,22,26,31H,7-8,14,19-20H2,1-6H3,(H,30,32)/t22?,26-/m1/s1
InChIKeyCNHBKDYQPHAMIQ-ZWAGFTRDSA-N
MW495.74 g/mol
LogP7.11
Rot. Bonds11

About 5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyheptyl]-8-phenylmethoxy-1H-quinolin-2-one

5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyheptyl]-8-phenylmethoxy-1H-quinolin-2-one (PubChem CID 175343725) has the molecular formula C29H41NO4Si and a molecular weight of 495.74 g/mol. Its IUPAC name is 5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyheptyl]-8-phenylmethoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyheptyl]-8-phenylmethoxy-1H-quinolin-2-one
PubChem CID175343725
Molecular FormulaC29H41NO4Si
Molecular Weight495.74 g/mol
Exact Mass495.28
IUPAC Name5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyheptyl]-8-phenylmethoxy-1H-quinolin-2-one
SMILESCCCCC(O)C[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12
InChIInChI=1S/C29H41NO4Si/c1-7-8-14-22(31)19-26(34-35(5,6)29(2,3)4)23-15-17-25(28-24(23)16-18-27(32)30-28)33-20-21-12-10-9-11-13-21/h9-13,15-18,22,26,31H,7-8,14,19-20H2,1-6H3,(H,30,32)/t22?,26-/m1/s1
InChIKeyCNHBKDYQPHAMIQ-ZWAGFTRDSA-N
XLogP7.11
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.74
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(1R)-2-[benzyl-[(1S)-1-chloropentyl]amino]-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 68616953
4-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]benzoic acid
CID 175041664
benzyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-N-[6-(2-phenylethylamino)hexyl]carbamate
CID 69233936
5-[(1R)-2-[[2-[2-(4-aminophenyl)ethyl]phenyl]methylamino]-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 150786194
3-[6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexoxy]benzoic acid
CID 140855778
4-[4-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]ethyl]anilino]benzonitrile
CID 69091787
5-[(1R)-2-bromo-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one;5-[(1R)-2-bromo-1-propan-2-yloxyethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 159089444
5-[(2R)-1-aminopropan-2-yl]-8-phenylmethoxy-1H-quinolin-2-one
CID 164875331
methyl 2-[4-[5-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentoxy]phenyl]-2-hydroxy-2-phenylacetate
CID 131749189
methyl 2-[3-[6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoyl]phenyl]-2-hydroxy-2-phenylacetate
CID 158307859
[5-[3-[2-[benzyl-[2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]ethyl]anilino]-5-oxopentyl]carbamic acid
CID 66770159
tert-butyl N-[2-[4-(benzhydrylcarbamoylamino)phenyl]ethyl]-N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]carbamate
CID 66941732

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyheptyl]-8-phenylmethoxy-1H-quinolin-2-one?
The IUPAC name of 5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyheptyl]-8-phenylmethoxy-1H-quinolin-2-one (CID 175343725) is 5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyheptyl]-8-phenylmethoxy-1H-quinolin-2-one.
What is the SMILES notation for 5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyheptyl]-8-phenylmethoxy-1H-quinolin-2-one?
The canonical SMILES for 5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyheptyl]-8-phenylmethoxy-1H-quinolin-2-one is CCCCC(O)C[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12.
What is the InChIKey of 5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyheptyl]-8-phenylmethoxy-1H-quinolin-2-one?
The InChIKey is CNHBKDYQPHAMIQ-ZWAGFTRDSA-N. The full InChI is InChI=1S/C29H41NO4Si/c1-7-8-14-22(31)19-26(34-35(5,6)29(2,3)4)23-15-17-25(28-24(23)16-18-27(32)30-28)33-20-21-12-10-9-11-13-21/h9-13,15-18,22,26,31H,7-8,14,19-20H2,1-6H3,(H,30,32)/t22?,26-/m1/s1.
What are the key properties of 5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyheptyl]-8-phenylmethoxy-1H-quinolin-2-one?
5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyheptyl]-8-phenylmethoxy-1H-quinolin-2-one has a molecular weight of 495.74 g/mol, XLogP of 7.11, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyheptyl]-8-phenylmethoxy-1H-quinolin-2-one is sourced from PubChem (CID 175343725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).