1,2,8-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

C20H23NO3 — CID 21447064

IUPAC1,2,8-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESCOc1cccc2c1CC1c3c(cc(OC)c(OC)c3-2)CCN1C
InChIInChI=1S/C20H23NO3/c1-21-9-8-12-10-17(23-3)20(24-4)19-13-6-5-7-16(22-2)14(13)11-15(21)18(12)19/h5-7,10,15H,8-9,11H2,1-4H3
InChIKeyILFCZOSUAYAORZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.46
Rot. Bonds3

About 1,2,8-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

1,2,8-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (PubChem CID 21447064) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1,2,8-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.

Molecular Properties

Compound Name1,2,8-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
PubChem CID21447064
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name1,2,8-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESCOc1cccc2c1CC1c3c(cc(OC)c(OC)c3-2)CCN1C
InChIInChI=1S/C20H23NO3/c1-21-9-8-12-10-17(23-3)20(24-4)19-13-6-5-7-16(22-2)14(13)11-15(21)18(12)19/h5-7,10,15H,8-9,11H2,1-4H3
InChIKeyILFCZOSUAYAORZ-UHFFFAOYSA-N
XLogP3.46
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,8-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The IUPAC name of 1,2,8-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (CID 21447064) is 1,2,8-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.
What is the SMILES notation for 1,2,8-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The canonical SMILES for 1,2,8-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is COc1cccc2c1CC1c3c(cc(OC)c(OC)c3-2)CCN1C.
What is the InChIKey of 1,2,8-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The InChIKey is ILFCZOSUAYAORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-21-9-8-12-10-17(23-3)20(24-4)19-13-6-5-7-16(22-2)14(13)11-15(21)18(12)19/h5-7,10,15H,8-9,11H2,1-4H3.
What are the key properties of 1,2,8-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
1,2,8-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline has a molecular weight of 325.41 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,8-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is sourced from PubChem (CID 21447064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).