CID 144911016

C22H30Cl2N2OSi- — CID 144911016

IUPAC—
SMILESCC[Si-](CC)(CC)OC(CNC1Cc2ccccc2C1)c1c(Cl)cncc1Cl
InChIInChI=1S/C22H30Cl2N2OSi/c1-4-28(5-2,6-3)27-21(22-19(23)13-25-14-20(22)24)15-26-18-11-16-9-7-8-10-17(16)12-18/h7-10,13-14,18,21,26H,4-6,11-12,15H2,1-3H3/q-1
InChIKeyOHMILHWCEOOCKR-UHFFFAOYSA-N
MW437.49 g/mol
LogP6.21
Rot. Bonds9

About CID 144911016

CID 144911016 (PubChem CID 144911016) has the molecular formula C22H30Cl2N2OSi- and a molecular weight of 437.49 g/mol.

Molecular Properties

Compound NameCID 144911016
PubChem CID144911016
Molecular FormulaC22H30Cl2N2OSi-
Molecular Weight437.49 g/mol
Exact Mass436.15
IUPAC Name—
SMILESCC[Si-](CC)(CC)OC(CNC1Cc2ccccc2C1)c1c(Cl)cncc1Cl
InChIInChI=1S/C22H30Cl2N2OSi/c1-4-28(5-2,6-3)27-21(22-19(23)13-25-14-20(22)24)15-26-18-11-16-9-7-8-10-17(16)12-18/h7-10,13-14,18,21,26H,4-6,11-12,15H2,1-3H3/q-1
InChIKeyOHMILHWCEOOCKR-UHFFFAOYSA-N
XLogP6.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.49
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 144911016?
The IUPAC name of CID 144911016 (CID 144911016) is not available.
What is the SMILES notation for CID 144911016?
The canonical SMILES for CID 144911016 is CC[Si-](CC)(CC)OC(CNC1Cc2ccccc2C1)c1c(Cl)cncc1Cl.
What is the InChIKey of CID 144911016?
The InChIKey is OHMILHWCEOOCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30Cl2N2OSi/c1-4-28(5-2,6-3)27-21(22-19(23)13-25-14-20(22)24)15-26-18-11-16-9-7-8-10-17(16)12-18/h7-10,13-14,18,21,26H,4-6,11-12,15H2,1-3H3/q-1.
What are the key properties of CID 144911016?
CID 144911016 has a molecular weight of 437.49 g/mol, XLogP of 6.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144911016 is sourced from PubChem (CID 144911016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).