2,3,7,8,11-pentamethoxy-5-methyl-6H-benzo[c]phenanthridine

C23H25NO5 — CID 163074020

IUPAC2,3,7,8,11-pentamethoxy-5-methyl-6H-benzo[c]phenanthridine
SMILESCOc1cc2cc(OC)c3c(c2cc1OC)N(C)Cc1c-3ccc(OC)c1OC
InChIInChI=1S/C23H25NO5/c1-24-12-16-14(7-8-17(25-2)23(16)29-6)21-20(28-5)10-13-9-18(26-3)19(27-4)11-15(13)22(21)24/h7-11H,12H2,1-6H3
InChIKeyDWULEZLJOYLXKO-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.50
Rot. Bonds5

About 2,3,7,8,11-pentamethoxy-5-methyl-6H-benzo[c]phenanthridine

2,3,7,8,11-pentamethoxy-5-methyl-6H-benzo[c]phenanthridine (PubChem CID 163074020) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2,3,7,8,11-pentamethoxy-5-methyl-6H-benzo[c]phenanthridine.

Molecular Properties

Compound Name2,3,7,8,11-pentamethoxy-5-methyl-6H-benzo[c]phenanthridine
PubChem CID163074020
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Name2,3,7,8,11-pentamethoxy-5-methyl-6H-benzo[c]phenanthridine
SMILESCOc1cc2cc(OC)c3c(c2cc1OC)N(C)Cc1c-3ccc(OC)c1OC
InChIInChI=1S/C23H25NO5/c1-24-12-16-14(7-8-17(25-2)23(16)29-6)21-20(28-5)10-13-9-18(26-3)19(27-4)11-15(13)22(21)24/h7-11H,12H2,1-6H3
InChIKeyDWULEZLJOYLXKO-UHFFFAOYSA-N
XLogP4.50
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,3,7,8,11-pentamethoxy-5-methyl-6H-benzo[c]phenanthridine 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

(+)-Glaucine
CID 16754
Dihydrosanguinarine
CID 124069
Dihydrochelerythrine
CID 485077
6,7-Dihydro-7-methyl-5H-benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline
CID 161899
1,2,9,10-Tetramethoxy-6-Methyl-5,6,6A,7-Tetrahydro-4H-Dibenzo(De,G)Quinoline
CID 10145
5,6-Dihydro-1,2-dimethoxy-6-methyl-4H-dibenzo(de,g)quinoline
CID 821347
Dihydrochelirubine
CID 440589
12,13-Dihydro-1,2,13-trimethoxy-12-methyl(1,3)benzodioxolo(5,6-c)phenanthridine
CID 189060
Dehydroglaucine
CID 398788
14-Ethoxy-13-methyl-13,14-dihydro-(1,3)dioxolo(4',5':4,5)benzo(1,2-c)(1,3)dioxolo(4,5-i)phenanthridine
CID 5317235
Dihydronitidine
CID 99641
(+-)-6-Acetonyldihydrochelerythrine
CID 443700

Frequently Asked Questions

What is the IUPAC name of 2,3,7,8,11-pentamethoxy-5-methyl-6H-benzo[c]phenanthridine?
The IUPAC name of 2,3,7,8,11-pentamethoxy-5-methyl-6H-benzo[c]phenanthridine (CID 163074020) is 2,3,7,8,11-pentamethoxy-5-methyl-6H-benzo[c]phenanthridine.
What is the SMILES notation for 2,3,7,8,11-pentamethoxy-5-methyl-6H-benzo[c]phenanthridine?
The canonical SMILES for 2,3,7,8,11-pentamethoxy-5-methyl-6H-benzo[c]phenanthridine is COc1cc2cc(OC)c3c(c2cc1OC)N(C)Cc1c-3ccc(OC)c1OC.
What is the InChIKey of 2,3,7,8,11-pentamethoxy-5-methyl-6H-benzo[c]phenanthridine?
The InChIKey is DWULEZLJOYLXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5/c1-24-12-16-14(7-8-17(25-2)23(16)29-6)21-20(28-5)10-13-9-18(26-3)19(27-4)11-15(13)22(21)24/h7-11H,12H2,1-6H3.
What are the key properties of 2,3,7,8,11-pentamethoxy-5-methyl-6H-benzo[c]phenanthridine?
2,3,7,8,11-pentamethoxy-5-methyl-6H-benzo[c]phenanthridine has a molecular weight of 395.46 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,8,11-pentamethoxy-5-methyl-6H-benzo[c]phenanthridine is sourced from PubChem (CID 163074020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).