(6R)-3,8,9-trimethoxy-5-methyl-6H-benzo[c]phenanthridine-2,6-diol

C21H21NO5 — CID 163159403

IUPAC(6R)-3,8,9-trimethoxy-5-methyl-6H-benzo[c]phenanthridine-2,6-diol
SMILESCOc1cc2c3c(ccc2cc1O)-c1cc(OC)c(OC)cc1[C@@H](O)N3C
InChIInChI=1S/C21H21NO5/c1-22-20-12(6-5-11-7-16(23)17(25-2)8-13(11)20)14-9-18(26-3)19(27-4)10-15(14)21(22)24/h5-10,21,23-24H,1-4H3/t21-/m1/s1
InChIKeyQKQWCUMFQCNNJC-OAQYLSRUSA-N
MW367.40 g/mol
LogP3.68
Rot. Bonds3

About (6R)-3,8,9-trimethoxy-5-methyl-6H-benzo[c]phenanthridine-2,6-diol

(6R)-3,8,9-trimethoxy-5-methyl-6H-benzo[c]phenanthridine-2,6-diol (PubChem CID 163159403) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is (6R)-3,8,9-trimethoxy-5-methyl-6H-benzo[c]phenanthridine-2,6-diol.

Molecular Properties

Compound Name(6R)-3,8,9-trimethoxy-5-methyl-6H-benzo[c]phenanthridine-2,6-diol
PubChem CID163159403
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name(6R)-3,8,9-trimethoxy-5-methyl-6H-benzo[c]phenanthridine-2,6-diol
SMILESCOc1cc2c3c(ccc2cc1O)-c1cc(OC)c(OC)cc1[C@@H](O)N3C
InChIInChI=1S/C21H21NO5/c1-22-20-12(6-5-11-7-16(23)17(25-2)8-13(11)20)14-9-18(26-3)19(27-4)10-15(14)21(22)24/h5-10,21,23-24H,1-4H3/t21-/m1/s1
InChIKeyQKQWCUMFQCNNJC-OAQYLSRUSA-N
XLogP3.68
TPSA71.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (6R)-3,8,9-trimethoxy-5-methyl-6H-benzo[c]phenanthridine-2,6-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 (6R)-3,8,9-trimethoxy-5-methyl-6H-benzo[c]phenanthridine-2,6-diol?
The IUPAC name of (6R)-3,8,9-trimethoxy-5-methyl-6H-benzo[c]phenanthridine-2,6-diol (CID 163159403) is (6R)-3,8,9-trimethoxy-5-methyl-6H-benzo[c]phenanthridine-2,6-diol.
What is the SMILES notation for (6R)-3,8,9-trimethoxy-5-methyl-6H-benzo[c]phenanthridine-2,6-diol?
The canonical SMILES for (6R)-3,8,9-trimethoxy-5-methyl-6H-benzo[c]phenanthridine-2,6-diol is COc1cc2c3c(ccc2cc1O)-c1cc(OC)c(OC)cc1[C@@H](O)N3C.
What is the InChIKey of (6R)-3,8,9-trimethoxy-5-methyl-6H-benzo[c]phenanthridine-2,6-diol?
The InChIKey is QKQWCUMFQCNNJC-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H21NO5/c1-22-20-12(6-5-11-7-16(23)17(25-2)8-13(11)20)14-9-18(26-3)19(27-4)10-15(14)21(22)24/h5-10,21,23-24H,1-4H3/t21-/m1/s1.
What are the key properties of (6R)-3,8,9-trimethoxy-5-methyl-6H-benzo[c]phenanthridine-2,6-diol?
(6R)-3,8,9-trimethoxy-5-methyl-6H-benzo[c]phenanthridine-2,6-diol has a molecular weight of 367.40 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3,8,9-trimethoxy-5-methyl-6H-benzo[c]phenanthridine-2,6-diol is sourced from PubChem (CID 163159403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).