(6aR)-6-benzyl-11-methoxy-10-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

C25H25NO — CID 10713210

IUPAC(6aR)-6-benzyl-11-methoxy-10-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESCOc1c(C)ccc2c1-c1cccc3c1[C@@H](C2)N(Cc1ccccc1)CC3
InChIInChI=1S/C25H25NO/c1-17-11-12-20-15-22-23-19(9-6-10-21(23)24(20)25(17)27-2)13-14-26(22)16-18-7-4-3-5-8-18/h3-12,22H,13-16H2,1-2H3/t22-/m1/s1
InChIKeyREHZDUZJCOTDRK-JOCHJYFZSA-N
MW355.48 g/mol
LogP5.33
Rot. Bonds3

About (6aR)-6-benzyl-11-methoxy-10-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

(6aR)-6-benzyl-11-methoxy-10-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (PubChem CID 10713210) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is (6aR)-6-benzyl-11-methoxy-10-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.

Molecular Properties

Compound Name(6aR)-6-benzyl-11-methoxy-10-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
PubChem CID10713210
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name(6aR)-6-benzyl-11-methoxy-10-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESCOc1c(C)ccc2c1-c1cccc3c1[C@@H](C2)N(Cc1ccccc1)CC3
InChIInChI=1S/C25H25NO/c1-17-11-12-20-15-22-23-19(9-6-10-21(23)24(20)25(17)27-2)13-14-26(22)16-18-7-4-3-5-8-18/h3-12,22H,13-16H2,1-2H3/t22-/m1/s1
InChIKeyREHZDUZJCOTDRK-JOCHJYFZSA-N
XLogP5.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6aR)-6-benzyl-11-methoxy-10-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The IUPAC name of (6aR)-6-benzyl-11-methoxy-10-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (CID 10713210) is (6aR)-6-benzyl-11-methoxy-10-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.
What is the SMILES notation for (6aR)-6-benzyl-11-methoxy-10-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The canonical SMILES for (6aR)-6-benzyl-11-methoxy-10-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is COc1c(C)ccc2c1-c1cccc3c1[C@@H](C2)N(Cc1ccccc1)CC3.
What is the InChIKey of (6aR)-6-benzyl-11-methoxy-10-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The InChIKey is REHZDUZJCOTDRK-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H25NO/c1-17-11-12-20-15-22-23-19(9-6-10-21(23)24(20)25(17)27-2)13-14-26(22)16-18-7-4-3-5-8-18/h3-12,22H,13-16H2,1-2H3/t22-/m1/s1.
What are the key properties of (6aR)-6-benzyl-11-methoxy-10-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
(6aR)-6-benzyl-11-methoxy-10-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline has a molecular weight of 355.48 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-6-benzyl-11-methoxy-10-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is sourced from PubChem (CID 10713210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).