4-[8-(methylphosphanylamino)quinolin-5-yl]oxypyridine-2,3-diamine

C15H16N5OP — CID 70964342

IUPAC4-[8-(methylphosphanylamino)quinolin-5-yl]oxypyridine-2,3-diamine
SMILESCPNc1ccc(Oc2ccnc(N)c2N)c2cccnc12
InChIInChI=1S/C15H16N5OP/c1-22-20-10-4-5-11(9-3-2-7-18-14(9)10)21-12-6-8-19-15(17)13(12)16/h2-8,20,22H,16H2,1H3,(H2,17,19)
InChIKeyWBTZWLHUXMWRBY-UHFFFAOYSA-N
MW313.30 g/mol
LogP3.22
Rot. Bonds4

About 4-[8-(methylphosphanylamino)quinolin-5-yl]oxypyridine-2,3-diamine

4-[8-(methylphosphanylamino)quinolin-5-yl]oxypyridine-2,3-diamine (PubChem CID 70964342) has the molecular formula C15H16N5OP and a molecular weight of 313.30 g/mol. Its IUPAC name is 4-[8-(methylphosphanylamino)quinolin-5-yl]oxypyridine-2,3-diamine.

Molecular Properties

Compound Name4-[8-(methylphosphanylamino)quinolin-5-yl]oxypyridine-2,3-diamine
PubChem CID70964342
Molecular FormulaC15H16N5OP
Molecular Weight313.30 g/mol
Exact Mass313.11
IUPAC Name4-[8-(methylphosphanylamino)quinolin-5-yl]oxypyridine-2,3-diamine
SMILESCPNc1ccc(Oc2ccnc(N)c2N)c2cccnc12
InChIInChI=1S/C15H16N5OP/c1-22-20-10-4-5-11(9-3-2-7-18-14(9)10)21-12-6-8-19-15(17)13(12)16/h2-8,20,22H,16H2,1H3,(H2,17,19)
InChIKeyWBTZWLHUXMWRBY-UHFFFAOYSA-N
XLogP3.22
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(8-methylquinolin-5-yl)oxypyridine-2,3-diamine
CID 58171714
4-quinolin-8-yloxyquinolin-8-amine
CID 130319854
N-[3-(methylamino)-4-[8-(sulfinamoylamino)quinolin-5-yl]oxy-2-pyridinyl]formamide
CID 143881449
5-(2,4,5-trichlorophenoxy)quinolin-8-amine
CID 43449630
2-[2-amino-4-(4-aminonaphthalen-1-yl)oxy-3-pyridinyl]propanehydrazide
CID 89258278
2-methoxy-6-quinolin-5-yloxyaniline
CID 103043894
5-(2,5-dimethylphenoxy)quinolin-8-amine
CID 43449609
5-[(2-methyl-4-pyridinyl)oxy]quinolin-8-amine
CID 116525610
5-(2-iodophenoxy)quinolin-8-amine
CID 43479572
N-(5-methoxyquinolin-8-yl)formamide
CID 886460
2-amino-8-(4-aminonaphthalen-1-yl)oxy-4H-pyrido[2,3-b]pyrazin-3-one
CID 46901095
4-(4-chloro-2-methylphenoxy)quinolin-8-amine
CID 83060835

Frequently Asked Questions

What is the IUPAC name of 4-[8-(methylphosphanylamino)quinolin-5-yl]oxypyridine-2,3-diamine?
The IUPAC name of 4-[8-(methylphosphanylamino)quinolin-5-yl]oxypyridine-2,3-diamine (CID 70964342) is 4-[8-(methylphosphanylamino)quinolin-5-yl]oxypyridine-2,3-diamine.
What is the SMILES notation for 4-[8-(methylphosphanylamino)quinolin-5-yl]oxypyridine-2,3-diamine?
The canonical SMILES for 4-[8-(methylphosphanylamino)quinolin-5-yl]oxypyridine-2,3-diamine is CPNc1ccc(Oc2ccnc(N)c2N)c2cccnc12.
What is the InChIKey of 4-[8-(methylphosphanylamino)quinolin-5-yl]oxypyridine-2,3-diamine?
The InChIKey is WBTZWLHUXMWRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N5OP/c1-22-20-10-4-5-11(9-3-2-7-18-14(9)10)21-12-6-8-19-15(17)13(12)16/h2-8,20,22H,16H2,1H3,(H2,17,19).
What are the key properties of 4-[8-(methylphosphanylamino)quinolin-5-yl]oxypyridine-2,3-diamine?
4-[8-(methylphosphanylamino)quinolin-5-yl]oxypyridine-2,3-diamine has a molecular weight of 313.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(methylphosphanylamino)quinolin-5-yl]oxypyridine-2,3-diamine is sourced from PubChem (CID 70964342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).