methyl 1-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]cyclopropane-1-carboxylate;methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]prop-2-enoate

C37H50N4O8Si2 — CID 159683340

IUPACmethyl 1-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]cyclopropane-1-carboxylate;methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]prop-2-enoate
SMILESC=C(C(=O)OC)c1nn(COCC[Si](C)(C)C)c2ccccc2c1=O.COC(=O)C1(c2nn(COCC[Si](C)(C)C)c3ccccc3c2=O)CC1
InChIInChI=1S/C19H26N2O4Si.C18H24N2O4Si/c1-24-18(23)19(9-10-19)17-16(22)14-7-5-6-8-15(14)21(20-17)13-25-11-12-26(2,3)4;1-13(18(22)23-2)16-17(21)14-8-6-7-9-15(14)20(19-16)12-24-10-11-25(3,4)5/h5-8H,9-13H2,1-4H3;6-9H,1,10-12H2,2-5H3
InChIKeyMVLZTSBYMVPHLD-UHFFFAOYSA-N
MW735.00 g/mol
LogP5.81
Rot. Bonds14

About methyl 1-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]cyclopropane-1-carboxylate;methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]prop-2-enoate

methyl 1-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]cyclopropane-1-carboxylate;methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]prop-2-enoate (PubChem CID 159683340) has the molecular formula C37H50N4O8Si2 and a molecular weight of 735.00 g/mol. Its IUPAC name is methyl 1-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]cyclopropane-1-carboxylate;methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 1-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]cyclopropane-1-carboxylate;methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]prop-2-enoate
PubChem CID159683340
Molecular FormulaC37H50N4O8Si2
Molecular Weight735.00 g/mol
Exact Mass734.32
IUPAC Namemethyl 1-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]cyclopropane-1-carboxylate;methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]prop-2-enoate
SMILESC=C(C(=O)OC)c1nn(COCC[Si](C)(C)C)c2ccccc2c1=O.COC(=O)C1(c2nn(COCC[Si](C)(C)C)c3ccccc3c2=O)CC1
InChIInChI=1S/C19H26N2O4Si.C18H24N2O4Si/c1-24-18(23)19(9-10-19)17-16(22)14-7-5-6-8-15(14)21(20-17)13-25-11-12-26(2,3)4;1-13(18(22)23-2)16-17(21)14-8-6-7-9-15(14)20(19-16)12-24-10-11-25(3,4)5/h5-8H,9-13H2,1-4H3;6-9H,1,10-12H2,2-5H3
InChIKeyMVLZTSBYMVPHLD-UHFFFAOYSA-N
XLogP5.81
TPSA140.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500735.00
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 1-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]cyclopropane-1-carboxylate;methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]prop-2-enoate with MolForge

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Related Compounds

1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde
CID 22486277
methyl 5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carboxylate
CID 170590267
5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylic acid
CID 57495793
tert-butyl N-[3-[[4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoyl]amino]propyl]carbamate
CID 54577000
1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]ethanone
CID 156716995
2-[[3-(1H-benzimidazol-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 141075677
methyl 5-(3-aminophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxylate
CID 162527237
methyl 1-[4-[4-[3-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1-(2-trimethylsilylethoxymethyl)indol-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 71265724
2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid
CID 22170985
ethyl 1-[5-chloro-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-6-yl]cyclopropane-1-carboxylate
CID 123570217
trimethyl-[2-[[6-(1-phenylethenyl)-3-(2-phenylethenyl)indazol-1-yl]methoxy]ethyl]silane
CID 69371688
2-[[3-(1-ethoxyethenyl)-5-nitroindazol-1-yl]methoxy]ethyl-trimethylsilane
CID 155574757

Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]cyclopropane-1-carboxylate;methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]prop-2-enoate?
The IUPAC name of methyl 1-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]cyclopropane-1-carboxylate;methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]prop-2-enoate (CID 159683340) is methyl 1-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]cyclopropane-1-carboxylate;methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]prop-2-enoate.
What is the SMILES notation for methyl 1-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]cyclopropane-1-carboxylate;methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]prop-2-enoate?
The canonical SMILES for methyl 1-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]cyclopropane-1-carboxylate;methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]prop-2-enoate is C=C(C(=O)OC)c1nn(COCC[Si](C)(C)C)c2ccccc2c1=O.COC(=O)C1(c2nn(COCC[Si](C)(C)C)c3ccccc3c2=O)CC1.
What is the InChIKey of methyl 1-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]cyclopropane-1-carboxylate;methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]prop-2-enoate?
The InChIKey is MVLZTSBYMVPHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4Si.C18H24N2O4Si/c1-24-18(23)19(9-10-19)17-16(22)14-7-5-6-8-15(14)21(20-17)13-25-11-12-26(2,3)4;1-13(18(22)23-2)16-17(21)14-8-6-7-9-15(14)20(19-16)12-24-10-11-25(3,4)5/h5-8H,9-13H2,1-4H3;6-9H,1,10-12H2,2-5H3.
What are the key properties of methyl 1-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]cyclopropane-1-carboxylate;methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]prop-2-enoate?
methyl 1-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]cyclopropane-1-carboxylate;methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]prop-2-enoate has a molecular weight of 735.00 g/mol, XLogP of 5.81, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]cyclopropane-1-carboxylate;methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]prop-2-enoate is sourced from PubChem (CID 159683340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).