8,9-dimethoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,2,3,4,4a,10b-hexahydrophenanthridine

C24H25NO4 — CID 22493448

IUPAC8,9-dimethoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,2,3,4,4a,10b-hexahydrophenanthridine
SMILESCOc1ccc2oc(C3=NC4CCCCC4c4cc(OC)c(OC)cc43)cc2c1
InChIInChI=1S/C24H25NO4/c1-26-15-8-9-20-14(10-15)11-23(29-20)24-18-13-22(28-3)21(27-2)12-17(18)16-6-4-5-7-19(16)25-24/h8-13,16,19H,4-7H2,1-3H3
InChIKeyGEFKSGJOKDNXEX-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.34
Rot. Bonds4

About 8,9-dimethoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,2,3,4,4a,10b-hexahydrophenanthridine

8,9-dimethoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,2,3,4,4a,10b-hexahydrophenanthridine (PubChem CID 22493448) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 8,9-dimethoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,2,3,4,4a,10b-hexahydrophenanthridine.

Molecular Properties

Compound Name8,9-dimethoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,2,3,4,4a,10b-hexahydrophenanthridine
PubChem CID22493448
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name8,9-dimethoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,2,3,4,4a,10b-hexahydrophenanthridine
SMILESCOc1ccc2oc(C3=NC4CCCCC4c4cc(OC)c(OC)cc43)cc2c1
InChIInChI=1S/C24H25NO4/c1-26-15-8-9-20-14(10-15)11-23(29-20)24-18-13-22(28-3)21(27-2)12-17(18)16-6-4-5-7-19(16)25-24/h8-13,16,19H,4-7H2,1-3H3
InChIKeyGEFKSGJOKDNXEX-UHFFFAOYSA-N
XLogP5.34
TPSA53.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,2,3,4,4a,10b-hexahydrophenanthridine?
The IUPAC name of 8,9-dimethoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,2,3,4,4a,10b-hexahydrophenanthridine (CID 22493448) is 8,9-dimethoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,2,3,4,4a,10b-hexahydrophenanthridine.
What is the SMILES notation for 8,9-dimethoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,2,3,4,4a,10b-hexahydrophenanthridine?
The canonical SMILES for 8,9-dimethoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,2,3,4,4a,10b-hexahydrophenanthridine is COc1ccc2oc(C3=NC4CCCCC4c4cc(OC)c(OC)cc43)cc2c1.
What is the InChIKey of 8,9-dimethoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,2,3,4,4a,10b-hexahydrophenanthridine?
The InChIKey is GEFKSGJOKDNXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-26-15-8-9-20-14(10-15)11-23(29-20)24-18-13-22(28-3)21(27-2)12-17(18)16-6-4-5-7-19(16)25-24/h8-13,16,19H,4-7H2,1-3H3.
What are the key properties of 8,9-dimethoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,2,3,4,4a,10b-hexahydrophenanthridine?
8,9-dimethoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,2,3,4,4a,10b-hexahydrophenanthridine has a molecular weight of 391.47 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,2,3,4,4a,10b-hexahydrophenanthridine is sourced from PubChem (CID 22493448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).