2-(1-methoxycarbonyl-2H-quinolin-2-yl)-2-trimethylsilylacetic acid

C16H21NO4Si — CID 11493461

IUPAC2-(1-methoxycarbonyl-2H-quinolin-2-yl)-2-trimethylsilylacetic acid
SMILESCOC(=O)N1c2ccccc2C=CC1C(C(=O)O)[Si](C)(C)C
InChIInChI=1S/C16H21NO4Si/c1-21-16(20)17-12-8-6-5-7-11(12)9-10-13(17)14(15(18)19)22(2,3)4/h5-10,13-14H,1-4H3,(H,18,19)
InChIKeyLHUGCDHFRKSYIT-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.45
Rot. Bonds3

About 2-(1-methoxycarbonyl-2H-quinolin-2-yl)-2-trimethylsilylacetic acid

2-(1-methoxycarbonyl-2H-quinolin-2-yl)-2-trimethylsilylacetic acid (PubChem CID 11493461) has the molecular formula C16H21NO4Si and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-(1-methoxycarbonyl-2H-quinolin-2-yl)-2-trimethylsilylacetic acid.

Molecular Properties

Compound Name2-(1-methoxycarbonyl-2H-quinolin-2-yl)-2-trimethylsilylacetic acid
PubChem CID11493461
Molecular FormulaC16H21NO4Si
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name2-(1-methoxycarbonyl-2H-quinolin-2-yl)-2-trimethylsilylacetic acid
SMILESCOC(=O)N1c2ccccc2C=CC1C(C(=O)O)[Si](C)(C)C
InChIInChI=1S/C16H21NO4Si/c1-21-16(20)17-12-8-6-5-7-11(12)9-10-13(17)14(15(18)19)22(2,3)4/h5-10,13-14H,1-4H3,(H,18,19)
InChIKeyLHUGCDHFRKSYIT-UHFFFAOYSA-N
XLogP3.45
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(2S)-1-methoxycarbonyl-2H-quinolin-2-yl]propanoic acid
CID 102476884
methyl (2S)-2-butyl-2H-quinoline-1-carboxylate
CID 102208485
(E)-4-(1-methoxycarbonyl-2H-quinolin-2-yl)-3-methylbut-2-enoic acid
CID 11687850
ethyl 2-(1-ethoxy-1,3-dioxobutan-2-yl)-2H-quinoline-1-carboxylate
CID 101357710
tert-butyl 2-[2-methyl-1-(2-methylpropoxy)propyl]-2H-quinoline-1-carboxylate
CID 174383459
ethyl 2-hydroxy-2H-quinoline-1-carboxylate
CID 19849647
2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate
CID 141096762
ethyl 2-prop-2-ynyl-2H-quinoline-1-carboxylate
CID 11264981
methyl 1a,6b-dihydro-1H-cyclopropa[b]indole-2-carboxylate
CID 582671
phenyl 2-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-quinoline-1-carboxylate
CID 102276088
methyl 4-(1-benzoyl-2H-quinolin-2-yl)-2-diazo-3-oxobutanoate
CID 101445565
(2S,4R)-1-methoxycarbonyl-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 136585449

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycarbonyl-2H-quinolin-2-yl)-2-trimethylsilylacetic acid?
The IUPAC name of 2-(1-methoxycarbonyl-2H-quinolin-2-yl)-2-trimethylsilylacetic acid (CID 11493461) is 2-(1-methoxycarbonyl-2H-quinolin-2-yl)-2-trimethylsilylacetic acid.
What is the SMILES notation for 2-(1-methoxycarbonyl-2H-quinolin-2-yl)-2-trimethylsilylacetic acid?
The canonical SMILES for 2-(1-methoxycarbonyl-2H-quinolin-2-yl)-2-trimethylsilylacetic acid is COC(=O)N1c2ccccc2C=CC1C(C(=O)O)[Si](C)(C)C.
What is the InChIKey of 2-(1-methoxycarbonyl-2H-quinolin-2-yl)-2-trimethylsilylacetic acid?
The InChIKey is LHUGCDHFRKSYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4Si/c1-21-16(20)17-12-8-6-5-7-11(12)9-10-13(17)14(15(18)19)22(2,3)4/h5-10,13-14H,1-4H3,(H,18,19).
What are the key properties of 2-(1-methoxycarbonyl-2H-quinolin-2-yl)-2-trimethylsilylacetic acid?
2-(1-methoxycarbonyl-2H-quinolin-2-yl)-2-trimethylsilylacetic acid has a molecular weight of 319.43 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycarbonyl-2H-quinolin-2-yl)-2-trimethylsilylacetic acid is sourced from PubChem (CID 11493461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).