(6aR)-2-methoxy-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

C21H23NO2 — CID 46180258

IUPAC(6aR)-2-methoxy-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESC=CCOc1cccc2c1-c1cc(OC)cc3c1[C@@H](C2)N(C)CC3
InChIInChI=1S/C21H23NO2/c1-4-10-24-19-7-5-6-14-12-18-20-15(8-9-22(18)2)11-16(23-3)13-17(20)21(14)19/h4-7,11,13,18H,1,8-10,12H2,2-3H3/t18-/m1/s1
InChIKeyDQHOPVHCOMQTNV-GOSISDBHSA-N
MW321.42 g/mol
LogP4.01
Rot. Bonds4

About (6aR)-2-methoxy-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

(6aR)-2-methoxy-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (PubChem CID 46180258) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is (6aR)-2-methoxy-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.

Molecular Properties

Compound Name(6aR)-2-methoxy-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
PubChem CID46180258
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name(6aR)-2-methoxy-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESC=CCOc1cccc2c1-c1cc(OC)cc3c1[C@@H](C2)N(C)CC3
InChIInChI=1S/C21H23NO2/c1-4-10-24-19-7-5-6-14-12-18-20-15(8-9-22(18)2)11-16(23-3)13-17(20)21(14)19/h4-7,11,13,18H,1,8-10,12H2,2-3H3/t18-/m1/s1
InChIKeyDQHOPVHCOMQTNV-GOSISDBHSA-N
XLogP4.01
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (6aR)-2-methoxy-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The IUPAC name of (6aR)-2-methoxy-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (CID 46180258) is (6aR)-2-methoxy-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.
What is the SMILES notation for (6aR)-2-methoxy-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The canonical SMILES for (6aR)-2-methoxy-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is C=CCOc1cccc2c1-c1cc(OC)cc3c1[C@@H](C2)N(C)CC3.
What is the InChIKey of (6aR)-2-methoxy-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The InChIKey is DQHOPVHCOMQTNV-GOSISDBHSA-N. The full InChI is InChI=1S/C21H23NO2/c1-4-10-24-19-7-5-6-14-12-18-20-15(8-9-22(18)2)11-16(23-3)13-17(20)21(14)19/h4-7,11,13,18H,1,8-10,12H2,2-3H3/t18-/m1/s1.
What are the key properties of (6aR)-2-methoxy-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
(6aR)-2-methoxy-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline has a molecular weight of 321.42 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-2-methoxy-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is sourced from PubChem (CID 46180258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).