ethyl 1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-7-methoxy-6-methyl-4-oxoquinoline-3-carboxylate

C25H39NO5Si — CID 70667062

IUPACethyl 1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-7-methoxy-6-methyl-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn([C@H](CCC(C)(C)[Si](C)(C)O)C(C)C)c2cc(OC)c(C)cc2c1=O
InChIInChI=1S/C25H39NO5Si/c1-10-31-24(28)19-15-26(20(16(2)3)11-12-25(5,6)32(8,9)29)21-14-22(30-7)17(4)13-18(21)23(19)27/h13-16,20,29H,10-12H2,1-9H3/t20-/m1/s1
InChIKeyOHPDUKNCJALPHJ-HXUWFJFHSA-N
MW461.68 g/mol
LogP5.45
Rot. Bonds9

About ethyl 1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-7-methoxy-6-methyl-4-oxoquinoline-3-carboxylate

ethyl 1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-7-methoxy-6-methyl-4-oxoquinoline-3-carboxylate (PubChem CID 70667062) has the molecular formula C25H39NO5Si and a molecular weight of 461.68 g/mol. Its IUPAC name is ethyl 1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-7-methoxy-6-methyl-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-7-methoxy-6-methyl-4-oxoquinoline-3-carboxylate
PubChem CID70667062
Molecular FormulaC25H39NO5Si
Molecular Weight461.68 g/mol
Exact Mass461.26
IUPAC Nameethyl 1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-7-methoxy-6-methyl-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn([C@H](CCC(C)(C)[Si](C)(C)O)C(C)C)c2cc(OC)c(C)cc2c1=O
InChIInChI=1S/C25H39NO5Si/c1-10-31-24(28)19-15-26(20(16(2)3)11-12-25(5,6)32(8,9)29)21-14-22(30-7)17(4)13-18(21)23(19)27/h13-16,20,29H,10-12H2,1-9H3/t20-/m1/s1
InChIKeyOHPDUKNCJALPHJ-HXUWFJFHSA-N
XLogP5.45
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.68
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-7-methoxy-6-methyl-4-oxoquinoline-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 7-chloro-1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-4-oxo-1,5-naphthyridine-3-carboxylate
CID 70667113
methyl 7-methoxy-6-methyl-1-(3-methyl-1-trimethylsilyloxybutan-2-yl)-4-oxoquinoline-3-carboxylate
CID 123645125
3-acetyl-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-6-methylquinolin-4-one
CID 58019113
ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-7-methoxy-6-[2-(4-methylphenyl)ethyl]-4-oxoquinoline-3-carboxylate
CID 58334829
ethyl 1-[1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-6-hydroxy-7-methoxy-4-oxoquinoline-3-carboxylate
CID 123858313
ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-6-iodo-7-methoxy-4-oxoquinoline-3-carboxylate;ethyl 1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-6-iodo-7-methoxy-4-oxoquinoline-3-carboxylate
CID 158399830
ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-chloro-4-oxo-1,7-naphthyridine-3-carboxylate
CID 58334705
6-[3-carboxy-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinolin-6-yl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid
CID 69032197
ethyl 1-[(2S)-3,3-dimethyl-1-methylsulfanyloxybutan-2-yl]-7-methoxy-4-oxo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-3-carboxylate
CID 71028306
ethyl 1-butan-2-yl-7-chloro-6-fluoro-4-oxoquinoline-3-carboxylate
CID 53416057
6-bromo-1-(1-hydroxy-3-methylbutan-2-yl)-7-methoxy-4-oxoquinoline-3-carboxylic acid
CID 66985892
ethyl 1-(1-hydroxybutan-2-yl)-6-methyl-4-oxoquinoline-3-carboxylate
CID 90894244

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-7-methoxy-6-methyl-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-7-methoxy-6-methyl-4-oxoquinoline-3-carboxylate (CID 70667062) is ethyl 1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-7-methoxy-6-methyl-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-7-methoxy-6-methyl-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-7-methoxy-6-methyl-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn([C@H](CCC(C)(C)[Si](C)(C)O)C(C)C)c2cc(OC)c(C)cc2c1=O.
What is the InChIKey of ethyl 1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-7-methoxy-6-methyl-4-oxoquinoline-3-carboxylate?
The InChIKey is OHPDUKNCJALPHJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H39NO5Si/c1-10-31-24(28)19-15-26(20(16(2)3)11-12-25(5,6)32(8,9)29)21-14-22(30-7)17(4)13-18(21)23(19)27/h13-16,20,29H,10-12H2,1-9H3/t20-/m1/s1.
What are the key properties of ethyl 1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-7-methoxy-6-methyl-4-oxoquinoline-3-carboxylate?
ethyl 1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-7-methoxy-6-methyl-4-oxoquinoline-3-carboxylate has a molecular weight of 461.68 g/mol, XLogP of 5.45, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-7-methoxy-6-methyl-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 70667062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).