4-N-(phosphanyloxymethyl)quinoline-3,4-diamine

C10H12N3OP — CID 58294727

IUPAC4-N-(phosphanyloxymethyl)quinoline-3,4-diamine
SMILESNc1cnc2ccccc2c1NCOP
InChIInChI=1S/C10H12N3OP/c11-8-5-12-9-4-2-1-3-7(9)10(8)13-6-14-15/h1-5H,6,11,15H2,(H,12,13)
InChIKeyBHWGYFDENCGQOM-UHFFFAOYSA-N
MW221.20 g/mol
LogP1.99
Rot. Bonds3

About 4-N-(phosphanyloxymethyl)quinoline-3,4-diamine

4-N-(phosphanyloxymethyl)quinoline-3,4-diamine (PubChem CID 58294727) has the molecular formula C10H12N3OP and a molecular weight of 221.20 g/mol. Its IUPAC name is 4-N-(phosphanyloxymethyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-(phosphanyloxymethyl)quinoline-3,4-diamine
PubChem CID58294727
Molecular FormulaC10H12N3OP
Molecular Weight221.20 g/mol
Exact Mass221.07
IUPAC Name4-N-(phosphanyloxymethyl)quinoline-3,4-diamine
SMILESNc1cnc2ccccc2c1NCOP
InChIInChI=1S/C10H12N3OP/c11-8-5-12-9-4-2-1-3-7(9)10(8)13-6-14-15/h1-5H,6,11,15H2,(H,12,13)
InChIKeyBHWGYFDENCGQOM-UHFFFAOYSA-N
XLogP1.99
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(phosphanyloxymethyl)quinoline-3,4-diamine?
The IUPAC name of 4-N-(phosphanyloxymethyl)quinoline-3,4-diamine (CID 58294727) is 4-N-(phosphanyloxymethyl)quinoline-3,4-diamine.
What is the SMILES notation for 4-N-(phosphanyloxymethyl)quinoline-3,4-diamine?
The canonical SMILES for 4-N-(phosphanyloxymethyl)quinoline-3,4-diamine is Nc1cnc2ccccc2c1NCOP.
What is the InChIKey of 4-N-(phosphanyloxymethyl)quinoline-3,4-diamine?
The InChIKey is BHWGYFDENCGQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N3OP/c11-8-5-12-9-4-2-1-3-7(9)10(8)13-6-14-15/h1-5H,6,11,15H2,(H,12,13).
What are the key properties of 4-N-(phosphanyloxymethyl)quinoline-3,4-diamine?
4-N-(phosphanyloxymethyl)quinoline-3,4-diamine has a molecular weight of 221.20 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(phosphanyloxymethyl)quinoline-3,4-diamine is sourced from PubChem (CID 58294727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).