6,10-dichloro-15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione

C20H16Cl2N2O2 — CID 10548245

IUPAC6,10-dichloro-15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione
SMILESCN(C)CCN1C(=O)c2ccc(Cl)c3cc4c(Cl)cccc4c(c23)C1=O
InChIInChI=1S/C20H16Cl2N2O2/c1-23(2)8-9-24-19(25)12-6-7-16(22)14-10-13-11(4-3-5-15(13)21)18(17(12)14)20(24)26/h3-7,10H,8-9H2,1-2H3
InChIKeyYQGABQDOEFQYKK-UHFFFAOYSA-N
MW387.27 g/mol
LogP4.46
Rot. Bonds3

About 6,10-dichloro-15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione

6,10-dichloro-15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione (PubChem CID 10548245) has the molecular formula C20H16Cl2N2O2 and a molecular weight of 387.27 g/mol. Its IUPAC name is 6,10-dichloro-15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione.

Molecular Properties

Compound Name6,10-dichloro-15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione
PubChem CID10548245
Molecular FormulaC20H16Cl2N2O2
Molecular Weight387.27 g/mol
Exact Mass386.06
IUPAC Name6,10-dichloro-15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione
SMILESCN(C)CCN1C(=O)c2ccc(Cl)c3cc4c(Cl)cccc4c(c23)C1=O
InChIInChI=1S/C20H16Cl2N2O2/c1-23(2)8-9-24-19(25)12-6-7-16(22)14-10-13-11(4-3-5-15(13)21)18(17(12)14)20(24)26/h3-7,10H,8-9H2,1-2H3
InChIKeyYQGABQDOEFQYKK-UHFFFAOYSA-N
XLogP4.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 6,10-dichloro-15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione 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 6,10-dichloro-15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione?
The IUPAC name of 6,10-dichloro-15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione (CID 10548245) is 6,10-dichloro-15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione.
What is the SMILES notation for 6,10-dichloro-15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione?
The canonical SMILES for 6,10-dichloro-15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione is CN(C)CCN1C(=O)c2ccc(Cl)c3cc4c(Cl)cccc4c(c23)C1=O.
What is the InChIKey of 6,10-dichloro-15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione?
The InChIKey is YQGABQDOEFQYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O2/c1-23(2)8-9-24-19(25)12-6-7-16(22)14-10-13-11(4-3-5-15(13)21)18(17(12)14)20(24)26/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 6,10-dichloro-15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione?
6,10-dichloro-15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione has a molecular weight of 387.27 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dichloro-15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione is sourced from PubChem (CID 10548245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).