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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Related Compounds

4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine
CID 149004364
4-N-(2-aminoethyl)quinoline-3,4-diamine
CID 103963227
4-N-(cyclopropylmethyl)quinoline-3,4-diamine
CID 103962731
4-N-(2,2-difluoroethyl)quinoline-3,4-diamine
CID 103963516
4-N-(cyclopentylmethyl)quinoline-3,4-diamine
CID 113359398
2-[(3-aminoquinolin-4-yl)amino]acetic acid
CID 103963211
4-N-(2,2-diethoxyethyl)quinoline-3,4-diamine
CID 86052490
4-N-[2-(2-methoxyethoxy)ethyl]quinoline-3,4-diamine
CID 103963149
4-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106120256
4-N-(4-methylpentyl)quinoline-3,4-diamine
CID 103963269
4-N-(1,2-oxazol-5-ylmethyl)quinoline-3,4-diamine
CID 114185848
4-N-(2-but-3-enoxyethyl)quinoline-3,4-diamine
CID 106394501

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).