methyl 7-methoxy-6-methyl-1-(3-methyl-1-trimethylsilyloxybutan-2-yl)-4-oxoquinoline-3-carboxylate

C21H31NO5Si — CID 123645125

IUPACmethyl 7-methoxy-6-methyl-1-(3-methyl-1-trimethylsilyloxybutan-2-yl)-4-oxoquinoline-3-carboxylate
SMILESCOC(=O)c1cn(C(CO[Si](C)(C)C)C(C)C)c2cc(OC)c(C)cc2c1=O
InChIInChI=1S/C21H31NO5Si/c1-13(2)18(12-27-28(6,7)8)22-11-16(21(24)26-5)20(23)15-9-14(3)19(25-4)10-17(15)22/h9-11,13,18H,12H2,1-8H3
InChIKeyUHHMIDLQXALPLC-UHFFFAOYSA-N
MW405.57 g/mol
LogP4.15
Rot. Bonds7

About methyl 7-methoxy-6-methyl-1-(3-methyl-1-trimethylsilyloxybutan-2-yl)-4-oxoquinoline-3-carboxylate

methyl 7-methoxy-6-methyl-1-(3-methyl-1-trimethylsilyloxybutan-2-yl)-4-oxoquinoline-3-carboxylate (PubChem CID 123645125) has the molecular formula C21H31NO5Si and a molecular weight of 405.57 g/mol. Its IUPAC name is methyl 7-methoxy-6-methyl-1-(3-methyl-1-trimethylsilyloxybutan-2-yl)-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-6-methyl-1-(3-methyl-1-trimethylsilyloxybutan-2-yl)-4-oxoquinoline-3-carboxylate
PubChem CID123645125
Molecular FormulaC21H31NO5Si
Molecular Weight405.57 g/mol
Exact Mass405.20
IUPAC Namemethyl 7-methoxy-6-methyl-1-(3-methyl-1-trimethylsilyloxybutan-2-yl)-4-oxoquinoline-3-carboxylate
SMILESCOC(=O)c1cn(C(CO[Si](C)(C)C)C(C)C)c2cc(OC)c(C)cc2c1=O
InChIInChI=1S/C21H31NO5Si/c1-13(2)18(12-27-28(6,7)8)22-11-16(21(24)26-5)20(23)15-9-14(3)19(25-4)10-17(15)22/h9-11,13,18H,12H2,1-8H3
InChIKeyUHHMIDLQXALPLC-UHFFFAOYSA-N
XLogP4.15
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.57
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 7-methoxy-6-methyl-1-(3-methyl-1-trimethylsilyloxybutan-2-yl)-4-oxoquinoline-3-carboxylate 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

3-acetyl-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-6-methylquinolin-4-one
CID 58019113
ethyl 1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-7-methoxy-6-methyl-4-oxoquinoline-3-carboxylate
CID 70667062
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
methyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-[[3-chloro-2,4-difluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]-7-methoxy-4-oxoquinoline-3-carboxylate
CID 59784036
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-[1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-6-hydroxy-7-methoxy-4-oxoquinoline-3-carboxylate
CID 123858313
6-bromo-1-(1-hydroxy-3-methylbutan-2-yl)-7-methoxy-4-oxoquinoline-3-carboxylic acid
CID 66985892
ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-chloro-4-oxo-1,7-naphthyridine-3-carboxylate
CID 58334705
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
1-[1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-6-hydroxy-7-methoxy-4-oxoquinoline-3-carboxylic acid
CID 66985936
6-bromo-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid
CID 68729731
6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2R)-1-deuterio-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid;ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-[(3-chloro-2-fluorophenyl)methyl]-7-fluoro-4-oxoquinoline-3-carboxylate
CID 159144640

Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-6-methyl-1-(3-methyl-1-trimethylsilyloxybutan-2-yl)-4-oxoquinoline-3-carboxylate?
The IUPAC name of methyl 7-methoxy-6-methyl-1-(3-methyl-1-trimethylsilyloxybutan-2-yl)-4-oxoquinoline-3-carboxylate (CID 123645125) is methyl 7-methoxy-6-methyl-1-(3-methyl-1-trimethylsilyloxybutan-2-yl)-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for methyl 7-methoxy-6-methyl-1-(3-methyl-1-trimethylsilyloxybutan-2-yl)-4-oxoquinoline-3-carboxylate?
The canonical SMILES for methyl 7-methoxy-6-methyl-1-(3-methyl-1-trimethylsilyloxybutan-2-yl)-4-oxoquinoline-3-carboxylate is COC(=O)c1cn(C(CO[Si](C)(C)C)C(C)C)c2cc(OC)c(C)cc2c1=O.
What is the InChIKey of methyl 7-methoxy-6-methyl-1-(3-methyl-1-trimethylsilyloxybutan-2-yl)-4-oxoquinoline-3-carboxylate?
The InChIKey is UHHMIDLQXALPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO5Si/c1-13(2)18(12-27-28(6,7)8)22-11-16(21(24)26-5)20(23)15-9-14(3)19(25-4)10-17(15)22/h9-11,13,18H,12H2,1-8H3.
What are the key properties of methyl 7-methoxy-6-methyl-1-(3-methyl-1-trimethylsilyloxybutan-2-yl)-4-oxoquinoline-3-carboxylate?
methyl 7-methoxy-6-methyl-1-(3-methyl-1-trimethylsilyloxybutan-2-yl)-4-oxoquinoline-3-carboxylate has a molecular weight of 405.57 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-6-methyl-1-(3-methyl-1-trimethylsilyloxybutan-2-yl)-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 123645125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).