1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one

C19H19NO3 — CID 141066118

IUPAC1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one
SMILESCOc1cc2c3c(c1OC)-c1ccccc1C(=O)C3N(C)CC2
InChIInChI=1S/C19H19NO3/c1-20-9-8-11-10-14(22-2)19(23-3)16-12-6-4-5-7-13(12)18(21)17(20)15(11)16/h4-7,10,17H,8-9H2,1-3H3
InChIKeyYGAWGXSZISTWRZ-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.10
Rot. Bonds2

About 1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one

1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one (PubChem CID 141066118) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one.

Molecular Properties

Compound Name1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one
PubChem CID141066118
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one
SMILESCOc1cc2c3c(c1OC)-c1ccccc1C(=O)C3N(C)CC2
InChIInChI=1S/C19H19NO3/c1-20-9-8-11-10-14(22-2)19(23-3)16-12-6-4-5-7-13(12)18(21)17(20)15(11)16/h4-7,10,17H,8-9H2,1-3H3
InChIKeyYGAWGXSZISTWRZ-UHFFFAOYSA-N
XLogP3.10
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one
CID 101438362
1,2,8-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 21447064
(6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol;hydrobromide
CID 172885215
9-chloro-1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 21447052
(6aS)-1,10-dimethoxy-6-methyl-2,9-bis(trideuteriomethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 162642216
tert-butyl 1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate
CID 71816662
(5S,9S)-15,16-dimethoxy-10-methyl-18-oxa-10-azatetracyclo[7.7.1.12,8.013,17]octadeca-1(17),2,7,13,15-pentaen-5-ol
CID 163032281
(3R)-3-[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]-3H-2-benzofuran-1-one
CID 15061641
1,10-dimethoxy-6-methyl-2,3-di(propan-2-yloxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one
CID 141066116
(5-methoxy-1-methyl-7-oxo-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-6-yl) benzoate
CID 45117773
(1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl) trifluoromethanesulfonate
CID 101438360
(6aR)-1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
CID 44559867

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one?
The IUPAC name of 1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one (CID 141066118) is 1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one.
What is the SMILES notation for 1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one?
The canonical SMILES for 1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one is COc1cc2c3c(c1OC)-c1ccccc1C(=O)C3N(C)CC2.
What is the InChIKey of 1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one?
The InChIKey is YGAWGXSZISTWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-20-9-8-11-10-14(22-2)19(23-3)16-12-6-4-5-7-13(12)18(21)17(20)15(11)16/h4-7,10,17H,8-9H2,1-3H3.
What are the key properties of 1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one?
1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one has a molecular weight of 309.37 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one is sourced from PubChem (CID 141066118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).