8-(aminomethyl)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol

C20H24N2O4 — CID 156824559

IUPAC8-(aminomethyl)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
SMILESCOc1cc2c(c(CN)c1O)CC1c3c(cc(O)c(OC)c3-2)CCN1C
InChIInChI=1S/C20H24N2O4/c1-22-5-4-10-6-15(23)20(26-3)18-12-8-16(25-2)19(24)13(9-21)11(12)7-14(22)17(10)18/h6,8,14,23-24H,4-5,7,9,21H2,1-3H3
InChIKeyYFVIGRQYGDNCCF-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.33
Rot. Bonds3

About 8-(aminomethyl)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol

8-(aminomethyl)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol (PubChem CID 156824559) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 8-(aminomethyl)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol.

Molecular Properties

Compound Name8-(aminomethyl)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
PubChem CID156824559
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name8-(aminomethyl)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
SMILESCOc1cc2c(c(CN)c1O)CC1c3c(cc(O)c(OC)c3-2)CCN1C
InChIInChI=1S/C20H24N2O4/c1-22-5-4-10-6-15(23)20(26-3)18-12-8-16(25-2)19(24)13(9-21)11(12)7-14(22)17(10)18/h6,8,14,23-24H,4-5,7,9,21H2,1-3H3
InChIKeyYFVIGRQYGDNCCF-UHFFFAOYSA-N
XLogP2.33
TPSA88.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 8-(aminomethyl)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(aminomethyl)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
CID 166711522
8-amino-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
CID 159930923
(6aS)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;hydrochloride
CID 45045237
1-methoxy-6,10-dimethyl-8-(methylamino)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
CID 158495925
(6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol;hydrobromide
CID 172885215
[(6aR)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-3-yl]methanamine
CID 9429813
(6aR)-1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
CID 44559867
1,2,8-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 21447064
9-bromo-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
CID 20556264
1,10-dimethoxy-2,6,9-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 21028248
8-[4-[(5-hydroxy-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenoxy]-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol
CID 85237477
2-methoxy-6,11-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
CID 162992620

Frequently Asked Questions

What is the IUPAC name of 8-(aminomethyl)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol?
The IUPAC name of 8-(aminomethyl)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol (CID 156824559) is 8-(aminomethyl)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol.
What is the SMILES notation for 8-(aminomethyl)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol?
The canonical SMILES for 8-(aminomethyl)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol is COc1cc2c(c(CN)c1O)CC1c3c(cc(O)c(OC)c3-2)CCN1C.
What is the InChIKey of 8-(aminomethyl)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol?
The InChIKey is YFVIGRQYGDNCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-22-5-4-10-6-15(23)20(26-3)18-12-8-16(25-2)19(24)13(9-21)11(12)7-14(22)17(10)18/h6,8,14,23-24H,4-5,7,9,21H2,1-3H3.
What are the key properties of 8-(aminomethyl)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol?
8-(aminomethyl)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol has a molecular weight of 356.42 g/mol, XLogP of 2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(aminomethyl)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol is sourced from PubChem (CID 156824559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).