2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]amino]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate

C25H40N4O7Si — CID 102265538

IUPAC2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]amino]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate
SMILESCCO[Si](CCCNC(=O)OCCOCCNCC(=O)Nc1cccc2cccnc12)(OCC)OCC
InChIInChI=1S/C25H40N4O7Si/c1-4-34-37(35-5-2,36-6-3)19-9-14-28-25(31)33-18-17-32-16-15-26-20-23(30)29-22-12-7-10-21-11-8-13-27-24(21)22/h7-8,10-13,26H,4-6,9,14-20H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyOCEIJXSGGZDUCI-UHFFFAOYSA-N
MW536.70 g/mol
LogP2.94
Rot. Bonds19

About 2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]amino]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate

2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]amino]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate (PubChem CID 102265538) has the molecular formula C25H40N4O7Si and a molecular weight of 536.70 g/mol. Its IUPAC name is 2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]amino]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate.

Molecular Properties

Compound Name2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]amino]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate
PubChem CID102265538
Molecular FormulaC25H40N4O7Si
Molecular Weight536.70 g/mol
Exact Mass536.27
IUPAC Name2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]amino]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate
SMILESCCO[Si](CCCNC(=O)OCCOCCNCC(=O)Nc1cccc2cccnc12)(OCC)OCC
InChIInChI=1S/C25H40N4O7Si/c1-4-34-37(35-5-2,36-6-3)19-9-14-28-25(31)33-18-17-32-16-15-26-20-23(30)29-22-12-7-10-21-11-8-13-27-24(21)22/h7-8,10-13,26H,4-6,9,14-20H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyOCEIJXSGGZDUCI-UHFFFAOYSA-N
XLogP2.94
TPSA129.27 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.70
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]amino]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate with MolForge

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Related Compounds

2-(2-methoxyethylamino)-N-quinolin-8-ylacetamide
CID 79282594
ethyl 2-oxo-2-(quinolin-8-ylamino)acetate
CID 10421911
tert-butyl N-[4-oxo-4-(quinolin-8-ylamino)butyl]carbamate
CID 51217671
4-amino-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pentanamide;dihydrochloride
CID 120565209
2,2-dimethyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
CID 17424107
ethyl 4-[3-oxo-3-(quinolin-8-ylamino)propanoyl]piperazine-1-carboxylate
CID 108950376
N-(3-ethoxypropyl)-2-quinolin-8-yloxyacetamide
CID 71408811
N-quinolin-8-yl-4-tri(propan-2-yl)silyloxybutanamide
CID 134160169
2-(4-ethoxyanilino)-N-quinolin-8-ylacetamide
CID 109009200
ethyl 2-[2-(quinolin-8-ylmethylamino)ethoxy]acetate
CID 103258791
pyridin-2-yl N-(3-triethoxysilylpropyl)carbamate
CID 59228638
4-bromo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 78785378

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]amino]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate?
The IUPAC name of 2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]amino]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate (CID 102265538) is 2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]amino]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate.
What is the SMILES notation for 2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]amino]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate?
The canonical SMILES for 2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]amino]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate is CCO[Si](CCCNC(=O)OCCOCCNCC(=O)Nc1cccc2cccnc12)(OCC)OCC.
What is the InChIKey of 2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]amino]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate?
The InChIKey is OCEIJXSGGZDUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O7Si/c1-4-34-37(35-5-2,36-6-3)19-9-14-28-25(31)33-18-17-32-16-15-26-20-23(30)29-22-12-7-10-21-11-8-13-27-24(21)22/h7-8,10-13,26H,4-6,9,14-20H2,1-3H3,(H,28,31)(H,29,30).
What are the key properties of 2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]amino]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate?
2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]amino]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate has a molecular weight of 536.70 g/mol, XLogP of 2.94, 19 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]amino]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate is sourced from PubChem (CID 102265538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).