3-[(6-dimethylphosphanylquinolin-4-yl)amino]-4-methylphenol

C18H19N2OP — CID 165123425

IUPAC3-[(6-dimethylphosphanylquinolin-4-yl)amino]-4-methylphenol
SMILESCc1ccc(O)cc1Nc1ccnc2ccc(P(C)C)cc12
InChIInChI=1S/C18H19N2OP/c1-12-4-5-13(21)10-18(12)20-17-8-9-19-16-7-6-14(22(2)3)11-15(16)17/h4-11,21H,1-3H3,(H,19,20)
InChIKeyTURZAJRSLUPNMB-UHFFFAOYSA-N
MW310.34 g/mol
LogP4.36
Rot. Bonds3

About 3-[(6-dimethylphosphanylquinolin-4-yl)amino]-4-methylphenol

3-[(6-dimethylphosphanylquinolin-4-yl)amino]-4-methylphenol (PubChem CID 165123425) has the molecular formula C18H19N2OP and a molecular weight of 310.34 g/mol. Its IUPAC name is 3-[(6-dimethylphosphanylquinolin-4-yl)amino]-4-methylphenol.

Molecular Properties

Compound Name3-[(6-dimethylphosphanylquinolin-4-yl)amino]-4-methylphenol
PubChem CID165123425
Molecular FormulaC18H19N2OP
Molecular Weight310.34 g/mol
Exact Mass310.12
IUPAC Name3-[(6-dimethylphosphanylquinolin-4-yl)amino]-4-methylphenol
SMILESCc1ccc(O)cc1Nc1ccnc2ccc(P(C)C)cc12
InChIInChI=1S/C18H19N2OP/c1-12-4-5-13(21)10-18(12)20-17-8-9-19-16-7-6-14(22(2)3)11-15(16)17/h4-11,21H,1-3H3,(H,19,20)
InChIKeyTURZAJRSLUPNMB-UHFFFAOYSA-N
XLogP4.36
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylate
CID 58170411
4-methyl-3-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol
CID 174218840
4-(5-hydroxy-2-methylanilino)-N-(2-methylsulfonylethyl)quinoline-6-carboxamide
CID 54672856
ethanol;ethyl 4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylate;4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylic acid
CID 162050100
[4-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenyl]methanol
CID 123769637
2-chloro-6-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenol
CID 123566796
4-propan-2-yl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol
CID 44532297
methyl 3-[(6-fluoroquinolin-4-yl)amino]-4-methylbenzoate
CID 157042958
4-[(6-methylsulfonylquinolin-4-yl)amino]phenol
CID 54673836
CID 89227163
CID 89227163
4-(4-anilinoquinolin-6-yl)phenol
CID 122181968
3-[[7-[4-[(2-methoxyethylamino)methyl]-1,3-thiazol-5-yl]quinolin-4-yl]amino]-4-methylphenol
CID 44532521

Frequently Asked Questions

What is the IUPAC name of 3-[(6-dimethylphosphanylquinolin-4-yl)amino]-4-methylphenol?
The IUPAC name of 3-[(6-dimethylphosphanylquinolin-4-yl)amino]-4-methylphenol (CID 165123425) is 3-[(6-dimethylphosphanylquinolin-4-yl)amino]-4-methylphenol.
What is the SMILES notation for 3-[(6-dimethylphosphanylquinolin-4-yl)amino]-4-methylphenol?
The canonical SMILES for 3-[(6-dimethylphosphanylquinolin-4-yl)amino]-4-methylphenol is Cc1ccc(O)cc1Nc1ccnc2ccc(P(C)C)cc12.
What is the InChIKey of 3-[(6-dimethylphosphanylquinolin-4-yl)amino]-4-methylphenol?
The InChIKey is TURZAJRSLUPNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N2OP/c1-12-4-5-13(21)10-18(12)20-17-8-9-19-16-7-6-14(22(2)3)11-15(16)17/h4-11,21H,1-3H3,(H,19,20).
What are the key properties of 3-[(6-dimethylphosphanylquinolin-4-yl)amino]-4-methylphenol?
3-[(6-dimethylphosphanylquinolin-4-yl)amino]-4-methylphenol has a molecular weight of 310.34 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-dimethylphosphanylquinolin-4-yl)amino]-4-methylphenol is sourced from PubChem (CID 165123425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).