10-bromo-16,17-dimethoxy-4,13-dioxa-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7(12),8,10,14,16-octaene

C17H12BrNO4 — CID 71007051

IUPAC10-bromo-16,17-dimethoxy-4,13-dioxa-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7(12),8,10,14,16-octaene
SMILESCOc1cc2c(cc1OC)-c1nocc1-c1ccc(Br)cc1O2
InChIInChI=1S/C17H12BrNO4/c1-20-15-6-11-14(7-16(15)21-2)23-13-5-9(18)3-4-10(13)12-8-22-19-17(11)12/h3-8H,1-2H3
InChIKeyOVQMONHZWVEGMA-UHFFFAOYSA-N
MW374.19 g/mol
LogP4.89
Rot. Bonds2

About 10-bromo-16,17-dimethoxy-4,13-dioxa-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7(12),8,10,14,16-octaene

10-bromo-16,17-dimethoxy-4,13-dioxa-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7(12),8,10,14,16-octaene (PubChem CID 71007051) has the molecular formula C17H12BrNO4 and a molecular weight of 374.19 g/mol. Its IUPAC name is 10-bromo-16,17-dimethoxy-4,13-dioxa-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7(12),8,10,14,16-octaene.

Molecular Properties

Compound Name10-bromo-16,17-dimethoxy-4,13-dioxa-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7(12),8,10,14,16-octaene
PubChem CID71007051
Molecular FormulaC17H12BrNO4
Molecular Weight374.19 g/mol
Exact Mass372.99
IUPAC Name10-bromo-16,17-dimethoxy-4,13-dioxa-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7(12),8,10,14,16-octaene
SMILESCOc1cc2c(cc1OC)-c1nocc1-c1ccc(Br)cc1O2
InChIInChI=1S/C17H12BrNO4/c1-20-15-6-11-14(7-16(15)21-2)23-13-5-9(18)3-4-10(13)12-8-22-19-17(11)12/h3-8H,1-2H3
InChIKeyOVQMONHZWVEGMA-UHFFFAOYSA-N
XLogP4.89
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-bromo-16,17-dimethoxy-4,13-dioxa-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7(12),8,10,14,16-octaene 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 10-bromo-16,17-dimethoxy-4,13-dioxa-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7(12),8,10,14,16-octaene?
The IUPAC name of 10-bromo-16,17-dimethoxy-4,13-dioxa-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7(12),8,10,14,16-octaene (CID 71007051) is 10-bromo-16,17-dimethoxy-4,13-dioxa-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7(12),8,10,14,16-octaene.
What is the SMILES notation for 10-bromo-16,17-dimethoxy-4,13-dioxa-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7(12),8,10,14,16-octaene?
The canonical SMILES for 10-bromo-16,17-dimethoxy-4,13-dioxa-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7(12),8,10,14,16-octaene is COc1cc2c(cc1OC)-c1nocc1-c1ccc(Br)cc1O2.
What is the InChIKey of 10-bromo-16,17-dimethoxy-4,13-dioxa-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7(12),8,10,14,16-octaene?
The InChIKey is OVQMONHZWVEGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO4/c1-20-15-6-11-14(7-16(15)21-2)23-13-5-9(18)3-4-10(13)12-8-22-19-17(11)12/h3-8H,1-2H3.
What are the key properties of 10-bromo-16,17-dimethoxy-4,13-dioxa-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7(12),8,10,14,16-octaene?
10-bromo-16,17-dimethoxy-4,13-dioxa-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7(12),8,10,14,16-octaene has a molecular weight of 374.19 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-16,17-dimethoxy-4,13-dioxa-3-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7(12),8,10,14,16-octaene is sourced from PubChem (CID 71007051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).