1,10-dimethoxy-2,6,9-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

C21H25NO2 — CID 21028248

IUPAC1,10-dimethoxy-2,6,9-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESCOc1cc2c(cc1C)CC1c3c(cc(C)c(OC)c3-2)CCN1C
InChIInChI=1S/C21H25NO2/c1-12-8-15-10-17-19-14(6-7-22(17)3)9-13(2)21(24-5)20(19)16(15)11-18(12)23-4/h8-9,11,17H,6-7,10H2,1-5H3
InChIKeyGYBOGYXKYHIKJA-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.07
Rot. Bonds2

About 1,10-dimethoxy-2,6,9-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

1,10-dimethoxy-2,6,9-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (PubChem CID 21028248) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1,10-dimethoxy-2,6,9-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.

Molecular Properties

Compound Name1,10-dimethoxy-2,6,9-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
PubChem CID21028248
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name1,10-dimethoxy-2,6,9-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESCOc1cc2c(cc1C)CC1c3c(cc(C)c(OC)c3-2)CCN1C
InChIInChI=1S/C21H25NO2/c1-12-8-15-10-17-19-14(6-7-22(17)3)9-13(2)21(24-5)20(19)16(15)11-18(12)23-4/h8-9,11,17H,6-7,10H2,1-5H3
InChIKeyGYBOGYXKYHIKJA-UHFFFAOYSA-N
XLogP4.07
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,10-dimethoxy-2,6,9-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The IUPAC name of 1,10-dimethoxy-2,6,9-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (CID 21028248) is 1,10-dimethoxy-2,6,9-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.
What is the SMILES notation for 1,10-dimethoxy-2,6,9-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The canonical SMILES for 1,10-dimethoxy-2,6,9-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is COc1cc2c(cc1C)CC1c3c(cc(C)c(OC)c3-2)CCN1C.
What is the InChIKey of 1,10-dimethoxy-2,6,9-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The InChIKey is GYBOGYXKYHIKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-12-8-15-10-17-19-14(6-7-22(17)3)9-13(2)21(24-5)20(19)16(15)11-18(12)23-4/h8-9,11,17H,6-7,10H2,1-5H3.
What are the key properties of 1,10-dimethoxy-2,6,9-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
1,10-dimethoxy-2,6,9-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline has a molecular weight of 323.44 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dimethoxy-2,6,9-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is sourced from PubChem (CID 21028248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).