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

C20H23NO — CID 44567687

IUPAC(6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESCCCN1CCc2cc(OC)cc3c2[C@H]1Cc1ccccc1-3
InChIInChI=1S/C20H23NO/c1-3-9-21-10-8-15-11-16(22-2)13-18-17-7-5-4-6-14(17)12-19(21)20(15)18/h4-7,11,13,19H,3,8-10,12H2,1-2H3/t19-/m1/s1
InChIKeyMWRWFSJANWAIKQ-LJQANCHMSA-N
MW293.41 g/mol
LogP4.23
Rot. Bonds3

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

(6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (PubChem CID 44567687) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.

Molecular Properties

Compound Name(6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
PubChem CID44567687
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESCCCN1CCc2cc(OC)cc3c2[C@H]1Cc1ccccc1-3
InChIInChI=1S/C20H23NO/c1-3-9-21-10-8-15-11-16(22-2)13-18-17-7-5-4-6-14(17)12-19(21)20(15)18/h4-7,11,13,19H,3,8-10,12H2,1-2H3/t19-/m1/s1
InChIKeyMWRWFSJANWAIKQ-LJQANCHMSA-N
XLogP4.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The IUPAC name of (6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (CID 44567687) is (6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.
What is the SMILES notation for (6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The canonical SMILES for (6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is CCCN1CCc2cc(OC)cc3c2[C@H]1Cc1ccccc1-3.
What is the InChIKey of (6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The InChIKey is MWRWFSJANWAIKQ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23NO/c1-3-9-21-10-8-15-11-16(22-2)13-18-17-7-5-4-6-14(17)12-19(21)20(15)18/h4-7,11,13,19H,3,8-10,12H2,1-2H3/t19-/m1/s1.
What are the key properties of (6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
(6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline has a molecular weight of 293.41 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is sourced from PubChem (CID 44567687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).