tert-butyl 3-methyl-6-[2-oxo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate;6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-2-one

C47H72N4O6Si2 — CID 174054455

IUPACtert-butyl 3-methyl-6-[2-oxo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate;6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-2-one
SMILESCC1CC=C(c2ccc3c(c2)CCC(=O)N3COCC[Si](C)(C)C)N(C(=O)OC(C)(C)C)C1.CC1CCC(c2ccc3c(c2)CCC(=O)N3COCC[Si](C)(C)C)=NC1
InChIInChI=1S/C26H40N2O4Si.C21H32N2O2Si/c1-19-8-11-22(27(17-19)25(30)32-26(2,3)4)20-9-12-23-21(16-20)10-13-24(29)28(23)18-31-14-15-33(5,6)7;1-16-5-8-19(22-14-16)17-6-9-20-18(13-17)7-10-21(24)23(20)15-25-11-12-26(2,3)4/h9,11-12,16,19H,8,10,13-15,17-18H2,1-7H3;6,9,13,16H,5,7-8,10-12,14-15H2,1-4H3
InChIKeyLFRZFWUHNWTWIU-UHFFFAOYSA-N
MW845.29 g/mol
LogP10.39
Rot. Bonds12

About tert-butyl 3-methyl-6-[2-oxo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate;6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-2-one

tert-butyl 3-methyl-6-[2-oxo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate;6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-2-one (PubChem CID 174054455) has the molecular formula C47H72N4O6Si2 and a molecular weight of 845.29 g/mol. Its IUPAC name is tert-butyl 3-methyl-6-[2-oxo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate;6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Nametert-butyl 3-methyl-6-[2-oxo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate;6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-2-one
PubChem CID174054455
Molecular FormulaC47H72N4O6Si2
Molecular Weight845.29 g/mol
Exact Mass844.50
IUPAC Nametert-butyl 3-methyl-6-[2-oxo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate;6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-2-one
SMILESCC1CC=C(c2ccc3c(c2)CCC(=O)N3COCC[Si](C)(C)C)N(C(=O)OC(C)(C)C)C1.CC1CCC(c2ccc3c(c2)CCC(=O)N3COCC[Si](C)(C)C)=NC1
InChIInChI=1S/C26H40N2O4Si.C21H32N2O2Si/c1-19-8-11-22(27(17-19)25(30)32-26(2,3)4)20-9-12-23-21(16-20)10-13-24(29)28(23)18-31-14-15-33(5,6)7;1-16-5-8-19(22-14-16)17-6-9-20-18(13-17)7-10-21(24)23(20)15-25-11-12-26(2,3)4/h9,11-12,16,19H,8,10,13-15,17-18H2,1-7H3;6,9,13,16H,5,7-8,10-12,14-15H2,1-4H3
InChIKeyLFRZFWUHNWTWIU-UHFFFAOYSA-N
XLogP10.39
TPSA100.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.29
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl 3-methyl-6-[2-oxo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate;6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (3S)-3-methyl-6-[2-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-5-yl]-3,4-dihydro-2H-pyridine-1-carboxylate;5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-2-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazole
CID 165040140
tert-butyl (3S)-6-(2,3-dihydro-1-benzofuran-6-yl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 169114261
tert-butyl 3-methyl-6-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 169113338
tert-butyl 3-methyl-6-(4-methylphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 169113845
tert-butyl (3S)-3-methyl-6-quinolin-7-yl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 169114964
tert-butyl 6-[3-(2-methoxy-2-oxoethyl)-1-benzothiophen-5-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 164750311
tert-butyl (3S)-6-[2-[2-(dimethylamino)ethyl]indazol-6-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 169112628
tert-butyl 3-methyl-6-(2-methylindazol-5-yl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 171618579
tert-butyl 6-(1,3-benzothiazol-5-yl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 164753620
tert-butyl 6-(1,2-benzothiazol-5-yl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 164752800
tert-butyl 6-(2-ethylindazol-5-yl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 169113974
tert-butyl 3-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 164751953

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-6-[2-oxo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate;6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of tert-butyl 3-methyl-6-[2-oxo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate;6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-2-one (CID 174054455) is tert-butyl 3-methyl-6-[2-oxo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate;6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for tert-butyl 3-methyl-6-[2-oxo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate;6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for tert-butyl 3-methyl-6-[2-oxo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate;6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-2-one is CC1CC=C(c2ccc3c(c2)CCC(=O)N3COCC[Si](C)(C)C)N(C(=O)OC(C)(C)C)C1.CC1CCC(c2ccc3c(c2)CCC(=O)N3COCC[Si](C)(C)C)=NC1.
What is the InChIKey of tert-butyl 3-methyl-6-[2-oxo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate;6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-2-one?
The InChIKey is LFRZFWUHNWTWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O4Si.C21H32N2O2Si/c1-19-8-11-22(27(17-19)25(30)32-26(2,3)4)20-9-12-23-21(16-20)10-13-24(29)28(23)18-31-14-15-33(5,6)7;1-16-5-8-19(22-14-16)17-6-9-20-18(13-17)7-10-21(24)23(20)15-25-11-12-26(2,3)4/h9,11-12,16,19H,8,10,13-15,17-18H2,1-7H3;6,9,13,16H,5,7-8,10-12,14-15H2,1-4H3.
What are the key properties of tert-butyl 3-methyl-6-[2-oxo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate;6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-2-one?
tert-butyl 3-methyl-6-[2-oxo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate;6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-2-one has a molecular weight of 845.29 g/mol, XLogP of 10.39, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-6-[2-oxo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate;6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 174054455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).