9,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-naphtho[2,1-f]isoquinoline-8,12-diol

C23H27NO4 — CID 10643561

IUPAC9,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-naphtho[2,1-f]isoquinoline-8,12-diol
SMILESCOc1cc2c(ccc3c4c(c(O)c(OC)c32)CN(CC(C)C)CC4)cc1O
InChIInChI=1S/C23H27NO4/c1-13(2)11-24-8-7-15-16-6-5-14-9-19(25)20(27-3)10-17(14)21(16)23(28-4)22(26)18(15)12-24/h5-6,9-10,13,25-26H,7-8,11-12H2,1-4H3
InChIKeyWKTMDLQZTZEUIG-UHFFFAOYSA-N
MW381.47 g/mol
LogP4.44
Rot. Bonds4

About 9,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-naphtho[2,1-f]isoquinoline-8,12-diol

9,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-naphtho[2,1-f]isoquinoline-8,12-diol (PubChem CID 10643561) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is 9,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-naphtho[2,1-f]isoquinoline-8,12-diol.

Molecular Properties

Compound Name9,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-naphtho[2,1-f]isoquinoline-8,12-diol
PubChem CID10643561
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name9,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-naphtho[2,1-f]isoquinoline-8,12-diol
SMILESCOc1cc2c(ccc3c4c(c(O)c(OC)c32)CN(CC(C)C)CC4)cc1O
InChIInChI=1S/C23H27NO4/c1-13(2)11-24-8-7-15-16-6-5-14-9-19(25)20(27-3)10-17(14)21(16)23(28-4)22(26)18(15)12-24/h5-6,9-10,13,25-26H,7-8,11-12H2,1-4H3
InChIKeyWKTMDLQZTZEUIG-UHFFFAOYSA-N
XLogP4.44
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-naphtho[2,1-f]isoquinoline-8,12-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 9,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-naphtho[2,1-f]isoquinoline-8,12-diol?
The IUPAC name of 9,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-naphtho[2,1-f]isoquinoline-8,12-diol (CID 10643561) is 9,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-naphtho[2,1-f]isoquinoline-8,12-diol.
What is the SMILES notation for 9,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-naphtho[2,1-f]isoquinoline-8,12-diol?
The canonical SMILES for 9,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-naphtho[2,1-f]isoquinoline-8,12-diol is COc1cc2c(ccc3c4c(c(O)c(OC)c32)CN(CC(C)C)CC4)cc1O.
What is the InChIKey of 9,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-naphtho[2,1-f]isoquinoline-8,12-diol?
The InChIKey is WKTMDLQZTZEUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c1-13(2)11-24-8-7-15-16-6-5-14-9-19(25)20(27-3)10-17(14)21(16)23(28-4)22(26)18(15)12-24/h5-6,9-10,13,25-26H,7-8,11-12H2,1-4H3.
What are the key properties of 9,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-naphtho[2,1-f]isoquinoline-8,12-diol?
9,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-naphtho[2,1-f]isoquinoline-8,12-diol has a molecular weight of 381.47 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-naphtho[2,1-f]isoquinoline-8,12-diol is sourced from PubChem (CID 10643561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).