5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(piperidin-4-ylmethylamino)ethyl]-8-hydroxy-1H-quinolin-2-one

C23H37N3O3Si — CID 145136094

IUPAC5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(piperidin-4-ylmethylamino)ethyl]-8-hydroxy-1H-quinolin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CNCC1CCNCC1)c1ccc(O)c2[nH]c(=O)ccc12
InChIInChI=1S/C23H37N3O3Si/c1-23(2,3)30(4,5)29-20(15-25-14-16-10-12-24-13-11-16)17-6-8-19(27)22-18(17)7-9-21(28)26-22/h6-9,16,20,24-25,27H,10-15H2,1-5H3,(H,26,28)/t20-/m0/s1
InChIKeyPJOGRKXIZNYOBP-FQEVSTJZSA-N
MW431.65 g/mol
LogP3.89
Rot. Bonds7

About 5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(piperidin-4-ylmethylamino)ethyl]-8-hydroxy-1H-quinolin-2-one

5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(piperidin-4-ylmethylamino)ethyl]-8-hydroxy-1H-quinolin-2-one (PubChem CID 145136094) has the molecular formula C23H37N3O3Si and a molecular weight of 431.65 g/mol. Its IUPAC name is 5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(piperidin-4-ylmethylamino)ethyl]-8-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(piperidin-4-ylmethylamino)ethyl]-8-hydroxy-1H-quinolin-2-one
PubChem CID145136094
Molecular FormulaC23H37N3O3Si
Molecular Weight431.65 g/mol
Exact Mass431.26
IUPAC Name5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(piperidin-4-ylmethylamino)ethyl]-8-hydroxy-1H-quinolin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CNCC1CCNCC1)c1ccc(O)c2[nH]c(=O)ccc12
InChIInChI=1S/C23H37N3O3Si/c1-23(2,3)30(4,5)29-20(15-25-14-16-10-12-24-13-11-16)17-6-8-19(27)22-18(17)7-9-21(28)26-22/h6-9,16,20,24-25,27H,10-15H2,1-5H3,(H,26,28)/t20-/m0/s1
InChIKeyPJOGRKXIZNYOBP-FQEVSTJZSA-N
XLogP3.89
TPSA86.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.65
LogP ≤ 53.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(piperidin-4-ylmethylamino)ethyl]-8-hydroxy-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Indacaterol
CID 6918554
Abediterol
CID 11962616
Carmoterol
CID 63952
Procaterol
CID 688563
Procaterol free base
CID 688561
TA-2005
CID 63951
Procaterol Hydrochloride
CID 16219912
8-hydroxy-5-(1-hydroxy-2-(isopropylamino)butyl)quinolin-2(1H)-one hydrochloride
CID 656601
5-[(1R)-2-[(5,6-diethyl-2-methyl-1,3-dihydroinden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 11625619
1-(3-(2-(2-Hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino)ethyl)phenyl)-3-phenylurea
CID 44237667
1-(3-(2-(2-Hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino)ethyl)phenyl)-3-(3-phenylpropyl)urea
CID 44237865
8-Hydroxy-5-(1-hydroxy-2-((1-methylethyl)amino)butyl)-2(1H)-quinolinone
CID 4916

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(piperidin-4-ylmethylamino)ethyl]-8-hydroxy-1H-quinolin-2-one?
The IUPAC name of 5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(piperidin-4-ylmethylamino)ethyl]-8-hydroxy-1H-quinolin-2-one (CID 145136094) is 5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(piperidin-4-ylmethylamino)ethyl]-8-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(piperidin-4-ylmethylamino)ethyl]-8-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(piperidin-4-ylmethylamino)ethyl]-8-hydroxy-1H-quinolin-2-one is CC(C)(C)[Si](C)(C)O[C@@H](CNCC1CCNCC1)c1ccc(O)c2[nH]c(=O)ccc12.
What is the InChIKey of 5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(piperidin-4-ylmethylamino)ethyl]-8-hydroxy-1H-quinolin-2-one?
The InChIKey is PJOGRKXIZNYOBP-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H37N3O3Si/c1-23(2,3)30(4,5)29-20(15-25-14-16-10-12-24-13-11-16)17-6-8-19(27)22-18(17)7-9-21(28)26-22/h6-9,16,20,24-25,27H,10-15H2,1-5H3,(H,26,28)/t20-/m0/s1.
What are the key properties of 5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(piperidin-4-ylmethylamino)ethyl]-8-hydroxy-1H-quinolin-2-one?
5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(piperidin-4-ylmethylamino)ethyl]-8-hydroxy-1H-quinolin-2-one has a molecular weight of 431.65 g/mol, XLogP of 3.89, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(piperidin-4-ylmethylamino)ethyl]-8-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 145136094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).