2,2-dimethyl-N-quinolin-8-yl-5-tri(propan-2-yl)silylpent-4-ynamide

C25H36N2OSi — CID 132918884

IUPAC2,2-dimethyl-N-quinolin-8-yl-5-tri(propan-2-yl)silylpent-4-ynamide
SMILESCC(C)[Si](C#CCC(C)(C)C(=O)Nc1cccc2cccnc12)(C(C)C)C(C)C
InChIInChI=1S/C25H36N2OSi/c1-18(2)29(19(3)4,20(5)6)17-11-15-25(7,8)24(28)27-22-14-9-12-21-13-10-16-26-23(21)22/h9-10,12-14,16,18-20H,15H2,1-8H3,(H,27,28)
InChIKeyDHXHUVTZBPUCLZ-UHFFFAOYSA-N
MW408.66 g/mol
LogP6.81
Rot. Bonds6

About 2,2-dimethyl-N-quinolin-8-yl-5-tri(propan-2-yl)silylpent-4-ynamide

2,2-dimethyl-N-quinolin-8-yl-5-tri(propan-2-yl)silylpent-4-ynamide (PubChem CID 132918884) has the molecular formula C25H36N2OSi and a molecular weight of 408.66 g/mol. Its IUPAC name is 2,2-dimethyl-N-quinolin-8-yl-5-tri(propan-2-yl)silylpent-4-ynamide.

Molecular Properties

Compound Name2,2-dimethyl-N-quinolin-8-yl-5-tri(propan-2-yl)silylpent-4-ynamide
PubChem CID132918884
Molecular FormulaC25H36N2OSi
Molecular Weight408.66 g/mol
Exact Mass408.26
IUPAC Name2,2-dimethyl-N-quinolin-8-yl-5-tri(propan-2-yl)silylpent-4-ynamide
SMILESCC(C)[Si](C#CCC(C)(C)C(=O)Nc1cccc2cccnc12)(C(C)C)C(C)C
InChIInChI=1S/C25H36N2OSi/c1-18(2)29(19(3)4,20(5)6)17-11-15-25(7,8)24(28)27-22-14-9-12-21-13-10-16-26-23(21)22/h9-10,12-14,16,18-20H,15H2,1-8H3,(H,27,28)
InChIKeyDHXHUVTZBPUCLZ-UHFFFAOYSA-N
XLogP6.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.66
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2,3-dimethyl-N-quinolin-8-ylbutanamide
CID 132522019
2,2-dimethyl-N-quinolin-8-ylpent-4-enamide
CID 170781883
[2,2-dimethyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate
CID 177454092
2,2-dimethyl-N-quinolin-8-ylpropanamide;molecular hydrogen
CID 143593011
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide
CID 108968465
2,2-dimethyl-5-phenyl-N-quinolin-8-ylpentanamide
CID 132571622
2,2-dimethyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
CID 17424107
1-(4-hydroxy-2,2-dimethylpentyl)-3-quinolin-8-ylurea
CID 111473382
(E)-5-(4-ethylphenyl)-2,2-dimethyl-N-quinolin-8-ylpent-4-enamide
CID 132571626
N-(2-methylpropyl)-N'-quinolin-8-yloxamide
CID 47225581
1-(2-hydroxypropyl)-3-quinolin-8-ylurea
CID 47032842
N-[2-(3-chlorophenyl)ethyl]-2,2-dimethyl-N'-quinolin-8-ylpropanediamide
CID 108966983

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-quinolin-8-yl-5-tri(propan-2-yl)silylpent-4-ynamide?
The IUPAC name of 2,2-dimethyl-N-quinolin-8-yl-5-tri(propan-2-yl)silylpent-4-ynamide (CID 132918884) is 2,2-dimethyl-N-quinolin-8-yl-5-tri(propan-2-yl)silylpent-4-ynamide.
What is the SMILES notation for 2,2-dimethyl-N-quinolin-8-yl-5-tri(propan-2-yl)silylpent-4-ynamide?
The canonical SMILES for 2,2-dimethyl-N-quinolin-8-yl-5-tri(propan-2-yl)silylpent-4-ynamide is CC(C)[Si](C#CCC(C)(C)C(=O)Nc1cccc2cccnc12)(C(C)C)C(C)C.
What is the InChIKey of 2,2-dimethyl-N-quinolin-8-yl-5-tri(propan-2-yl)silylpent-4-ynamide?
The InChIKey is DHXHUVTZBPUCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2OSi/c1-18(2)29(19(3)4,20(5)6)17-11-15-25(7,8)24(28)27-22-14-9-12-21-13-10-16-26-23(21)22/h9-10,12-14,16,18-20H,15H2,1-8H3,(H,27,28).
What are the key properties of 2,2-dimethyl-N-quinolin-8-yl-5-tri(propan-2-yl)silylpent-4-ynamide?
2,2-dimethyl-N-quinolin-8-yl-5-tri(propan-2-yl)silylpent-4-ynamide has a molecular weight of 408.66 g/mol, XLogP of 6.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-quinolin-8-yl-5-tri(propan-2-yl)silylpent-4-ynamide is sourced from PubChem (CID 132918884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).