8-methyl-2-[(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline

C24H24N2O2 — CID 10156139

IUPAC8-methyl-2-[(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline
SMILESCc1ccc2c3c(ccc2n1)OCC(CN1CC=CC(c2ccccc2)C1)O3
InChIInChI=1S/C24H24N2O2/c1-17-9-10-21-22(25-17)11-12-23-24(21)28-20(16-27-23)15-26-13-5-8-19(14-26)18-6-3-2-4-7-18/h2-12,19-20H,13-16H2,1H3
InChIKeyZAHGDMIADXNUSV-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.34
Rot. Bonds3

About 8-methyl-2-[(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline

8-methyl-2-[(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline (PubChem CID 10156139) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 8-methyl-2-[(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline.

Molecular Properties

Compound Name8-methyl-2-[(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline
PubChem CID10156139
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name8-methyl-2-[(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline
SMILESCc1ccc2c3c(ccc2n1)OCC(CN1CC=CC(c2ccccc2)C1)O3
InChIInChI=1S/C24H24N2O2/c1-17-9-10-21-22(25-17)11-12-23-24(21)28-20(16-27-23)15-26-13-5-8-19(14-26)18-6-3-2-4-7-18/h2-12,19-20H,13-16H2,1H3
InChIKeyZAHGDMIADXNUSV-UHFFFAOYSA-N
XLogP4.34
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline?
The IUPAC name of 8-methyl-2-[(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline (CID 10156139) is 8-methyl-2-[(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline.
What is the SMILES notation for 8-methyl-2-[(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline?
The canonical SMILES for 8-methyl-2-[(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline is Cc1ccc2c3c(ccc2n1)OCC(CN1CC=CC(c2ccccc2)C1)O3.
What is the InChIKey of 8-methyl-2-[(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline?
The InChIKey is ZAHGDMIADXNUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-17-9-10-21-22(25-17)11-12-23-24(21)28-20(16-27-23)15-26-13-5-8-19(14-26)18-6-3-2-4-7-18/h2-12,19-20H,13-16H2,1H3.
What are the key properties of 8-methyl-2-[(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline?
8-methyl-2-[(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline has a molecular weight of 372.47 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline is sourced from PubChem (CID 10156139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).