1-ditert-butylphosphoryl-3,4-dihydro-2H-quinoline

C17H28NOP — CID 134985582

IUPAC1-ditert-butylphosphoryl-3,4-dihydro-2H-quinoline
SMILESCC(C)(C)P(=O)(N1CCCc2ccccc21)C(C)(C)C
InChIInChI=1S/C17H28NOP/c1-16(2,3)20(19,17(4,5)6)18-13-9-11-14-10-7-8-12-15(14)18/h7-8,10,12H,9,11,13H2,1-6H3
InChIKeyHOFLWDJAMZEEDN-UHFFFAOYSA-N
MW293.39 g/mol
LogP5.31
Rot. Bonds1

About 1-ditert-butylphosphoryl-3,4-dihydro-2H-quinoline

1-ditert-butylphosphoryl-3,4-dihydro-2H-quinoline (PubChem CID 134985582) has the molecular formula C17H28NOP and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-ditert-butylphosphoryl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-ditert-butylphosphoryl-3,4-dihydro-2H-quinoline
PubChem CID134985582
Molecular FormulaC17H28NOP
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name1-ditert-butylphosphoryl-3,4-dihydro-2H-quinoline
SMILESCC(C)(C)P(=O)(N1CCCc2ccccc21)C(C)(C)C
InChIInChI=1S/C17H28NOP/c1-16(2,3)20(19,17(4,5)6)18-13-9-11-14-10-7-8-12-15(14)18/h7-8,10,12H,9,11,13H2,1-6H3
InChIKeyHOFLWDJAMZEEDN-UHFFFAOYSA-N
XLogP5.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.39
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-tert-butyl-11,12-dihydro-10H-benzo[b][1]benzazocine
CID 147804034
ethane;1-methyl-3,4-dihydro-2H-quinoline
CID 91236662
methane;1-methyl-3,4-dihydro-2H-quinoline
CID 158932753
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine
CID 58892341
1-oxido-3,4-dihydro-2H-quinoline
CID 18542548
1-fluoro-3,4-dihydro-2H-quinoline
CID 141340619
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
ethane;1-phenyl-3,4-dihydro-2H-quinoline
CID 145126037
1-methoxy-2,3,4,5-tetrahydro-1-benzazepine
CID 154059825
methyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoate
CID 79624325
2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
CID 151944573

Frequently Asked Questions

What is the IUPAC name of 1-ditert-butylphosphoryl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-ditert-butylphosphoryl-3,4-dihydro-2H-quinoline (CID 134985582) is 1-ditert-butylphosphoryl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-ditert-butylphosphoryl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-ditert-butylphosphoryl-3,4-dihydro-2H-quinoline is CC(C)(C)P(=O)(N1CCCc2ccccc21)C(C)(C)C.
What is the InChIKey of 1-ditert-butylphosphoryl-3,4-dihydro-2H-quinoline?
The InChIKey is HOFLWDJAMZEEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28NOP/c1-16(2,3)20(19,17(4,5)6)18-13-9-11-14-10-7-8-12-15(14)18/h7-8,10,12H,9,11,13H2,1-6H3.
What are the key properties of 1-ditert-butylphosphoryl-3,4-dihydro-2H-quinoline?
1-ditert-butylphosphoryl-3,4-dihydro-2H-quinoline has a molecular weight of 293.39 g/mol, XLogP of 5.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ditert-butylphosphoryl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 134985582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).