N-quinolin-8-yl-4-tri(propan-2-yl)silyloxybutanamide

C22H34N2O2Si — CID 134160169

IUPACN-quinolin-8-yl-4-tri(propan-2-yl)silyloxybutanamide
SMILESCC(C)[Si](OCCCC(=O)Nc1cccc2cccnc12)(C(C)C)C(C)C
InChIInChI=1S/C22H34N2O2Si/c1-16(2)27(17(3)4,18(5)6)26-15-9-13-21(25)24-20-12-7-10-19-11-8-14-23-22(19)20/h7-8,10-12,14,16-18H,9,13,15H2,1-6H3,(H,24,25)
InChIKeyHLJKYTODNRKDAI-UHFFFAOYSA-N
MW386.61 g/mol
LogP6.15
Rot. Bonds9

About N-quinolin-8-yl-4-tri(propan-2-yl)silyloxybutanamide

N-quinolin-8-yl-4-tri(propan-2-yl)silyloxybutanamide (PubChem CID 134160169) has the molecular formula C22H34N2O2Si and a molecular weight of 386.61 g/mol. Its IUPAC name is N-quinolin-8-yl-4-tri(propan-2-yl)silyloxybutanamide.

Molecular Properties

Compound NameN-quinolin-8-yl-4-tri(propan-2-yl)silyloxybutanamide
PubChem CID134160169
Molecular FormulaC22H34N2O2Si
Molecular Weight386.61 g/mol
Exact Mass386.24
IUPAC NameN-quinolin-8-yl-4-tri(propan-2-yl)silyloxybutanamide
SMILESCC(C)[Si](OCCCC(=O)Nc1cccc2cccnc12)(C(C)C)C(C)C
InChIInChI=1S/C22H34N2O2Si/c1-16(2)27(17(3)4,18(5)6)26-15-9-13-21(25)24-20-12-7-10-19-11-8-14-23-22(19)20/h7-8,10-12,14,16-18H,9,13,15H2,1-6H3,(H,24,25)
InChIKeyHLJKYTODNRKDAI-UHFFFAOYSA-N
XLogP6.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.61
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-quinolin-8-ylundecanamide
CID 3567928
methyl 4-oxo-4-(quinolin-8-ylamino)butanoate
CID 47150813
tert-butyl N-[4-oxo-4-(quinolin-8-ylamino)butyl]carbamate
CID 51217671
2-(2-methoxyethylamino)-N-quinolin-8-ylacetamide
CID 79282594
N-quinolin-8-yl-6-(sulfamoylamino)hexanamide
CID 25216936
3-(2-ethylanilino)-N-quinolin-8-ylpropanamide
CID 109036237
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
4-(2-chlorophenyl)-N-quinolin-8-ylpentanamide
CID 121339507
(9Z,12Z)-N-quinolin-8-yloctadeca-9,12-dienamide
CID 162681596
(9E,12E)-N-quinolin-8-yloctadeca-9,12-dienamide
CID 162681597
N-quinolin-8-ylhex-3-enamide
CID 151663814
5-[dimethyl(phenyl)silyl]-4-methyl-N-quinolin-8-ylpentanamide
CID 163364489

Frequently Asked Questions

What is the IUPAC name of N-quinolin-8-yl-4-tri(propan-2-yl)silyloxybutanamide?
The IUPAC name of N-quinolin-8-yl-4-tri(propan-2-yl)silyloxybutanamide (CID 134160169) is N-quinolin-8-yl-4-tri(propan-2-yl)silyloxybutanamide.
What is the SMILES notation for N-quinolin-8-yl-4-tri(propan-2-yl)silyloxybutanamide?
The canonical SMILES for N-quinolin-8-yl-4-tri(propan-2-yl)silyloxybutanamide is CC(C)[Si](OCCCC(=O)Nc1cccc2cccnc12)(C(C)C)C(C)C.
What is the InChIKey of N-quinolin-8-yl-4-tri(propan-2-yl)silyloxybutanamide?
The InChIKey is HLJKYTODNRKDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2Si/c1-16(2)27(17(3)4,18(5)6)26-15-9-13-21(25)24-20-12-7-10-19-11-8-14-23-22(19)20/h7-8,10-12,14,16-18H,9,13,15H2,1-6H3,(H,24,25).
What are the key properties of N-quinolin-8-yl-4-tri(propan-2-yl)silyloxybutanamide?
N-quinolin-8-yl-4-tri(propan-2-yl)silyloxybutanamide has a molecular weight of 386.61 g/mol, XLogP of 6.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-8-yl-4-tri(propan-2-yl)silyloxybutanamide is sourced from PubChem (CID 134160169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).