11-(2-methylprop-2-enoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

C23H27NO — CID 75164299

IUPAC11-(2-methylprop-2-enoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESC=C(C)COc1cccc2c1-c1cccc3c1C(C2)N(CCC)CC3
InChIInChI=1S/C23H27NO/c1-4-12-24-13-11-17-7-5-9-19-22(17)20(24)14-18-8-6-10-21(23(18)19)25-15-16(2)3/h5-10,20H,2,4,11-15H2,1,3H3
InChIKeyWXASTKWPMXGNLN-UHFFFAOYSA-N
MW333.48 g/mol
LogP5.17
Rot. Bonds5

About 11-(2-methylprop-2-enoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

11-(2-methylprop-2-enoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (PubChem CID 75164299) has the molecular formula C23H27NO and a molecular weight of 333.48 g/mol. Its IUPAC name is 11-(2-methylprop-2-enoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.

Molecular Properties

Compound Name11-(2-methylprop-2-enoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
PubChem CID75164299
Molecular FormulaC23H27NO
Molecular Weight333.48 g/mol
Exact Mass333.21
IUPAC Name11-(2-methylprop-2-enoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESC=C(C)COc1cccc2c1-c1cccc3c1C(C2)N(CCC)CC3
InChIInChI=1S/C23H27NO/c1-4-12-24-13-11-17-7-5-9-19-22(17)20(24)14-18-8-6-10-21(23(18)19)25-15-16(2)3/h5-10,20H,2,4,11-15H2,1,3H3
InChIKeyWXASTKWPMXGNLN-UHFFFAOYSA-N
XLogP5.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 11-(2-methylprop-2-enoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The IUPAC name of 11-(2-methylprop-2-enoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (CID 75164299) is 11-(2-methylprop-2-enoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.
What is the SMILES notation for 11-(2-methylprop-2-enoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The canonical SMILES for 11-(2-methylprop-2-enoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is C=C(C)COc1cccc2c1-c1cccc3c1C(C2)N(CCC)CC3.
What is the InChIKey of 11-(2-methylprop-2-enoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The InChIKey is WXASTKWPMXGNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO/c1-4-12-24-13-11-17-7-5-9-19-22(17)20(24)14-18-8-6-10-21(23(18)19)25-15-16(2)3/h5-10,20H,2,4,11-15H2,1,3H3.
What are the key properties of 11-(2-methylprop-2-enoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
11-(2-methylprop-2-enoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline has a molecular weight of 333.48 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-methylprop-2-enoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is sourced from PubChem (CID 75164299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).