ethane;1'-(4-methylphenyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one

C24H34N2O — CID 145015123

IUPACethane;1'-(4-methylphenyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
SMILESCC.CC.Cc1ccc(N2CCC3(CC2)Cc2ccccc2NC3=O)cc1
InChIInChI=1S/C20H22N2O.2C2H6/c1-15-6-8-17(9-7-15)22-12-10-20(11-13-22)14-16-4-2-3-5-18(16)21-19(20)23;2*1-2/h2-9H,10-14H2,1H3,(H,21,23);2*1-2H3
InChIKeyGAWDDDYPIXZIHM-UHFFFAOYSA-N
MW366.55 g/mol
LogP5.83
Rot. Bonds1

About ethane;1'-(4-methylphenyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one

ethane;1'-(4-methylphenyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one (PubChem CID 145015123) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is ethane;1'-(4-methylphenyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Nameethane;1'-(4-methylphenyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
PubChem CID145015123
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC Nameethane;1'-(4-methylphenyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
SMILESCC.CC.Cc1ccc(N2CCC3(CC2)Cc2ccccc2NC3=O)cc1
InChIInChI=1S/C20H22N2O.2C2H6/c1-15-6-8-17(9-7-15)22-12-10-20(11-13-22)14-16-4-2-3-5-18(16)21-19(20)23;2*1-2/h2-9H,10-14H2,1H3,(H,21,23);2*1-2H3
InChIKeyGAWDDDYPIXZIHM-UHFFFAOYSA-N
XLogP5.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;1'-(4-methylphenyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one?
The IUPAC name of ethane;1'-(4-methylphenyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one (CID 145015123) is ethane;1'-(4-methylphenyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one.
What is the SMILES notation for ethane;1'-(4-methylphenyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one?
The canonical SMILES for ethane;1'-(4-methylphenyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one is CC.CC.Cc1ccc(N2CCC3(CC2)Cc2ccccc2NC3=O)cc1.
What is the InChIKey of ethane;1'-(4-methylphenyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one?
The InChIKey is GAWDDDYPIXZIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O.2C2H6/c1-15-6-8-17(9-7-15)22-12-10-20(11-13-22)14-16-4-2-3-5-18(16)21-19(20)23;2*1-2/h2-9H,10-14H2,1H3,(H,21,23);2*1-2H3.
What are the key properties of ethane;1'-(4-methylphenyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one?
ethane;1'-(4-methylphenyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one has a molecular weight of 366.55 g/mol, XLogP of 5.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1'-(4-methylphenyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one is sourced from PubChem (CID 145015123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).