8-dimethylphosphorylquinolin-4-amine

C11H13N2OP — CID 146014257

IUPAC8-dimethylphosphorylquinolin-4-amine
SMILESCP(C)(=O)c1cccc2c(N)ccnc12
InChIInChI=1S/C11H13N2OP/c1-15(2,14)10-5-3-4-8-9(12)6-7-13-11(8)10/h3-7H,1-2H3,(H2,12,13)
InChIKeyNJNQIFYAFGPIAH-UHFFFAOYSA-N
MW220.21 g/mol
LogP2.07
Rot. Bonds1

About 8-dimethylphosphorylquinolin-4-amine

8-dimethylphosphorylquinolin-4-amine (PubChem CID 146014257) has the molecular formula C11H13N2OP and a molecular weight of 220.21 g/mol. Its IUPAC name is 8-dimethylphosphorylquinolin-4-amine.

Molecular Properties

Compound Name8-dimethylphosphorylquinolin-4-amine
PubChem CID146014257
Molecular FormulaC11H13N2OP
Molecular Weight220.21 g/mol
Exact Mass220.08
IUPAC Name8-dimethylphosphorylquinolin-4-amine
SMILESCP(C)(=O)c1cccc2c(N)ccnc12
InChIInChI=1S/C11H13N2OP/c1-15(2,14)10-5-3-4-8-9(12)6-7-13-11(8)10/h3-7H,1-2H3,(H2,12,13)
InChIKeyNJNQIFYAFGPIAH-UHFFFAOYSA-N
XLogP2.07
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-dimethylphosphorylquinolin-4-amine?
The IUPAC name of 8-dimethylphosphorylquinolin-4-amine (CID 146014257) is 8-dimethylphosphorylquinolin-4-amine.
What is the SMILES notation for 8-dimethylphosphorylquinolin-4-amine?
The canonical SMILES for 8-dimethylphosphorylquinolin-4-amine is CP(C)(=O)c1cccc2c(N)ccnc12.
What is the InChIKey of 8-dimethylphosphorylquinolin-4-amine?
The InChIKey is NJNQIFYAFGPIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N2OP/c1-15(2,14)10-5-3-4-8-9(12)6-7-13-11(8)10/h3-7H,1-2H3,(H2,12,13).
What are the key properties of 8-dimethylphosphorylquinolin-4-amine?
8-dimethylphosphorylquinolin-4-amine has a molecular weight of 220.21 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-dimethylphosphorylquinolin-4-amine is sourced from PubChem (CID 146014257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).