CID 89239946

C16H18AsN4O — CID 89239946

IUPAC—
SMILESCC(C)[As]c1c(C#N)nnc2ccc(N3CCOCC3)cc12
InChIInChI=1S/C16H18AsN4O/c1-11(2)17-16-13-9-12(21-5-7-22-8-6-21)3-4-14(13)19-20-15(16)10-18/h3-4,9,11H,5-8H2,1-2H3
InChIKeyFLKNCTOEDAKHGR-UHFFFAOYSA-N
MW357.27 g/mol
LogP1.50
Rot. Bonds3

About CID 89239946

CID 89239946 (PubChem CID 89239946) has the molecular formula C16H18AsN4O and a molecular weight of 357.27 g/mol.

Molecular Properties

Compound NameCID 89239946
PubChem CID89239946
Molecular FormulaC16H18AsN4O
Molecular Weight357.27 g/mol
Exact Mass357.07
IUPAC Name—
SMILESCC(C)[As]c1c(C#N)nnc2ccc(N3CCOCC3)cc12
InChIInChI=1S/C16H18AsN4O/c1-11(2)17-16-13-9-12(21-5-7-22-8-6-21)3-4-14(13)19-20-15(16)10-18/h3-4,9,11H,5-8H2,1-2H3
InChIKeyFLKNCTOEDAKHGR-UHFFFAOYSA-N
XLogP1.50
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 51.50
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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6-morpholin-4-yl-N-propylquinazolin-4-amine
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methyl 6-morpholin-4-ylquinoline-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of CID 89239946?
The IUPAC name of CID 89239946 (CID 89239946) is not available.
What is the SMILES notation for CID 89239946?
The canonical SMILES for CID 89239946 is CC(C)[As]c1c(C#N)nnc2ccc(N3CCOCC3)cc12.
What is the InChIKey of CID 89239946?
The InChIKey is FLKNCTOEDAKHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18AsN4O/c1-11(2)17-16-13-9-12(21-5-7-22-8-6-21)3-4-14(13)19-20-15(16)10-18/h3-4,9,11H,5-8H2,1-2H3.
What are the key properties of CID 89239946?
CID 89239946 has a molecular weight of 357.27 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89239946 is sourced from PubChem (CID 89239946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).