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

C20H24N2O4 — CID 166711522

IUPAC3-(aminomethyl)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
SMILESCOc1cc2c(cc1O)CC1c3c(c(CN)c(O)c(OC)c3-2)CCN1C
InChIInChI=1S/C20H24N2O4/c1-22-5-4-11-13(9-21)19(24)20(26-3)18-12-8-16(25-2)15(23)7-10(12)6-14(22)17(11)18/h7-8,14,23-24H,4-6,9,21H2,1-3H3
InChIKeyFUZOUVSVGVDVCY-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.33
Rot. Bonds3

About 3-(aminomethyl)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol

3-(aminomethyl)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol (PubChem CID 166711522) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-(aminomethyl)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol.

Molecular Properties

Compound Name3-(aminomethyl)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
PubChem CID166711522
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name3-(aminomethyl)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
SMILESCOc1cc2c(cc1O)CC1c3c(c(CN)c(O)c(OC)c3-2)CCN1C
InChIInChI=1S/C20H24N2O4/c1-22-5-4-11-13(9-21)19(24)20(26-3)18-12-8-16(25-2)15(23)7-10(12)6-14(22)17(11)18/h7-8,14,23-24H,4-6,9,21H2,1-3H3
InChIKeyFUZOUVSVGVDVCY-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 3-(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

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol?
The IUPAC name of 3-(aminomethyl)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol (CID 166711522) is 3-(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 3-(aminomethyl)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol?
The canonical SMILES for 3-(aminomethyl)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol is COc1cc2c(cc1O)CC1c3c(c(CN)c(O)c(OC)c3-2)CCN1C.
What is the InChIKey of 3-(aminomethyl)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol?
The InChIKey is FUZOUVSVGVDVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-22-5-4-11-13(9-21)19(24)20(26-3)18-12-8-16(25-2)15(23)7-10(12)6-14(22)17(11)18/h7-8,14,23-24H,4-6,9,21H2,1-3H3.
What are the key properties of 3-(aminomethyl)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol?
3-(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 3-(aminomethyl)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol is sourced from PubChem (CID 166711522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).