CID 173113338

C21H20N2O3Si — CID 173113338

IUPAC—
SMILESCOC(=O)C1=CO[C@@H](C)[C@H]2Cn3ccc4c5ccccc5nc-4c3C[C@H]12.[Si]
InChIInChI=1S/C21H20N2O3.Si/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2;/h3-8,11-12,15-16H,9-10H2,1-2H3;/t12-,15-,16+;/m0./s1
InChIKeyUWGVIRLTKHQOLC-RXAPEJBRSA-N
MW376.49 g/mol
LogP3.02
Rot. Bonds1

About CID 173113338

CID 173113338 (PubChem CID 173113338) has the molecular formula C21H20N2O3Si and a molecular weight of 376.49 g/mol.

Molecular Properties

Compound NameCID 173113338
PubChem CID173113338
Molecular FormulaC21H20N2O3Si
Molecular Weight376.49 g/mol
Exact Mass376.12
IUPAC Name—
SMILESCOC(=O)C1=CO[C@@H](C)[C@H]2Cn3ccc4c5ccccc5nc-4c3C[C@H]12.[Si]
InChIInChI=1S/C21H20N2O3.Si/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2;/h3-8,11-12,15-16H,9-10H2,1-2H3;/t12-,15-,16+;/m0./s1
InChIKeyUWGVIRLTKHQOLC-RXAPEJBRSA-N
XLogP3.02
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 173113338?
The IUPAC name of CID 173113338 (CID 173113338) is not available.
What is the SMILES notation for CID 173113338?
The canonical SMILES for CID 173113338 is COC(=O)C1=CO[C@@H](C)[C@H]2Cn3ccc4c5ccccc5nc-4c3C[C@H]12.[Si].
What is the InChIKey of CID 173113338?
The InChIKey is UWGVIRLTKHQOLC-RXAPEJBRSA-N. The full InChI is InChI=1S/C21H20N2O3.Si/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2;/h3-8,11-12,15-16H,9-10H2,1-2H3;/t12-,15-,16+;/m0./s1.
What are the key properties of CID 173113338?
CID 173113338 has a molecular weight of 376.49 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173113338 is sourced from PubChem (CID 173113338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).