4-(difluoromethyl)-2-diphenylphosphoryl-6-methylquinoline

C23H18F2NOP — CID 176895476

IUPAC4-(difluoromethyl)-2-diphenylphosphoryl-6-methylquinoline
SMILESCc1ccc2nc(P(=O)(c3ccccc3)c3ccccc3)cc(C(F)F)c2c1
InChIInChI=1S/C23H18F2NOP/c1-16-12-13-21-19(14-16)20(23(24)25)15-22(26-21)28(27,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,23H,1H3
InChIKeyALJYTSTWVAFNIL-UHFFFAOYSA-N
MW393.37 g/mol
LogP5.12
Rot. Bonds4

About 4-(difluoromethyl)-2-diphenylphosphoryl-6-methylquinoline

4-(difluoromethyl)-2-diphenylphosphoryl-6-methylquinoline (PubChem CID 176895476) has the molecular formula C23H18F2NOP and a molecular weight of 393.37 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-diphenylphosphoryl-6-methylquinoline.

Molecular Properties

Compound Name4-(difluoromethyl)-2-diphenylphosphoryl-6-methylquinoline
PubChem CID176895476
Molecular FormulaC23H18F2NOP
Molecular Weight393.37 g/mol
Exact Mass393.11
IUPAC Name4-(difluoromethyl)-2-diphenylphosphoryl-6-methylquinoline
SMILESCc1ccc2nc(P(=O)(c3ccccc3)c3ccccc3)cc(C(F)F)c2c1
InChIInChI=1S/C23H18F2NOP/c1-16-12-13-21-19(14-16)20(23(24)25)15-22(26-21)28(27,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,23H,1H3
InChIKeyALJYTSTWVAFNIL-UHFFFAOYSA-N
XLogP5.12
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.37
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethyl)-2-[2-methylprop-2-enoxy(phenyl)phosphoryl]quinoline
CID 176895477
2-(difluoromethyl)-6-methyl-4-phenylquinoline
CID 164677049
1-(4-diphenylphosphorylphenyl)-4-methylbenzene
CID 11233983
6-bis[4-(trifluoromethyl)phenyl]phosphoryl-2,8-dimethylphenanthridine
CID 134850227
2,6-bis(diphenylphosphoryl)pyridine;hydrate
CID 139170088
2,6-bis(diphenylphosphoryl)-4-(3-phenylphenyl)pyridine
CID 88535795
6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylphenanthridine
CID 102237067
2-diphenylphosphoryl-6-(6-diphenylphosphoryl-2-pyridinyl)pyridine
CID 58251118
8-methyl-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione
CID 71819080
4-fluoro-6-methyl-2-propan-2-ylquinoline
CID 143840207
5-methyl-12-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,9,11,13,15,17-nonaen-2-one
CID 102134774
N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine
CID 72834270

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-diphenylphosphoryl-6-methylquinoline?
The IUPAC name of 4-(difluoromethyl)-2-diphenylphosphoryl-6-methylquinoline (CID 176895476) is 4-(difluoromethyl)-2-diphenylphosphoryl-6-methylquinoline.
What is the SMILES notation for 4-(difluoromethyl)-2-diphenylphosphoryl-6-methylquinoline?
The canonical SMILES for 4-(difluoromethyl)-2-diphenylphosphoryl-6-methylquinoline is Cc1ccc2nc(P(=O)(c3ccccc3)c3ccccc3)cc(C(F)F)c2c1.
What is the InChIKey of 4-(difluoromethyl)-2-diphenylphosphoryl-6-methylquinoline?
The InChIKey is ALJYTSTWVAFNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2NOP/c1-16-12-13-21-19(14-16)20(23(24)25)15-22(26-21)28(27,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,23H,1H3.
What are the key properties of 4-(difluoromethyl)-2-diphenylphosphoryl-6-methylquinoline?
4-(difluoromethyl)-2-diphenylphosphoryl-6-methylquinoline has a molecular weight of 393.37 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-diphenylphosphoryl-6-methylquinoline is sourced from PubChem (CID 176895476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).