15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione

C24H28N4O2 — CID 10501415

IUPAC15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
SMILESCN(C)CCNc1ccc2c3c(c4ccccc4cc13)C(=O)N(CCN(C)C)C2=O
InChIInChI=1S/C24H28N4O2/c1-26(2)12-11-25-20-10-9-18-21-19(20)15-16-7-5-6-8-17(16)22(21)24(30)28(23(18)29)14-13-27(3)4/h5-10,15,25H,11-14H2,1-4H3
InChIKeyYQNKITKMOLERFY-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.12
Rot. Bonds7

About 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione

15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione (PubChem CID 10501415) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione.

Molecular Properties

Compound Name15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
PubChem CID10501415
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
SMILESCN(C)CCNc1ccc2c3c(c4ccccc4cc13)C(=O)N(CCN(C)C)C2=O
InChIInChI=1S/C24H28N4O2/c1-26(2)12-11-25-20-10-9-18-21-19(20)15-16-7-5-6-8-17(16)22(21)24(30)28(23(18)29)14-13-27(3)4/h5-10,15,25H,11-14H2,1-4H3
InChIKeyYQNKITKMOLERFY-UHFFFAOYSA-N
XLogP3.12
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione?
The IUPAC name of 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione (CID 10501415) is 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione.
What is the SMILES notation for 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione?
The canonical SMILES for 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione is CN(C)CCNc1ccc2c3c(c4ccccc4cc13)C(=O)N(CCN(C)C)C2=O.
What is the InChIKey of 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione?
The InChIKey is YQNKITKMOLERFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-26(2)12-11-25-20-10-9-18-21-19(20)15-16-7-5-6-8-17(16)22(21)24(30)28(23(18)29)14-13-27(3)4/h5-10,15,25H,11-14H2,1-4H3.
What are the key properties of 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione?
15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione has a molecular weight of 404.51 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione is sourced from PubChem (CID 10501415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).