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

C24H27N3O3 — CID 10740054

IUPAC10-[2-(dimethylamino)ethoxy]-15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
SMILESCN(C)CCOc1ccc2c3c(c4ccccc4cc13)C(=O)N(CCN(C)C)C2=O
InChIInChI=1S/C24H27N3O3/c1-25(2)11-12-27-23(28)18-9-10-20(30-14-13-26(3)4)19-15-16-7-5-6-8-17(16)22(21(18)19)24(27)29/h5-10,15H,11-14H2,1-4H3
InChIKeyFVXAPSUTPGIHSL-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.09
Rot. Bonds7

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

10-[2-(dimethylamino)ethoxy]-15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione (PubChem CID 10740054) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 10-[2-(dimethylamino)ethoxy]-15-[2-(dimethylamino)ethyl]-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 Name10-[2-(dimethylamino)ethoxy]-15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
PubChem CID10740054
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name10-[2-(dimethylamino)ethoxy]-15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
SMILESCN(C)CCOc1ccc2c3c(c4ccccc4cc13)C(=O)N(CCN(C)C)C2=O
InChIInChI=1S/C24H27N3O3/c1-25(2)11-12-27-23(28)18-9-10-20(30-14-13-26(3)4)19-15-16-7-5-6-8-17(16)22(21(18)19)24(27)29/h5-10,15H,11-14H2,1-4H3
InChIKeyFVXAPSUTPGIHSL-UHFFFAOYSA-N
XLogP3.09
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.09
H-Bond Donors ≤ 50
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 10-[2-(dimethylamino)ethoxy]-15-[2-(dimethylamino)ethyl]-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 10-[2-(dimethylamino)ethoxy]-15-[2-(dimethylamino)ethyl]-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 10-[2-(dimethylamino)ethoxy]-15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione (CID 10740054) is 10-[2-(dimethylamino)ethoxy]-15-[2-(dimethylamino)ethyl]-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 10-[2-(dimethylamino)ethoxy]-15-[2-(dimethylamino)ethyl]-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 10-[2-(dimethylamino)ethoxy]-15-[2-(dimethylamino)ethyl]-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)CCOc1ccc2c3c(c4ccccc4cc13)C(=O)N(CCN(C)C)C2=O.
What is the InChIKey of 10-[2-(dimethylamino)ethoxy]-15-[2-(dimethylamino)ethyl]-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 FVXAPSUTPGIHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-25(2)11-12-27-23(28)18-9-10-20(30-14-13-26(3)4)19-15-16-7-5-6-8-17(16)22(21(18)19)24(27)29/h5-10,15H,11-14H2,1-4H3.
What are the key properties of 10-[2-(dimethylamino)ethoxy]-15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione?
10-[2-(dimethylamino)ethoxy]-15-[2-(dimethylamino)ethyl]-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 405.50 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(dimethylamino)ethoxy]-15-[2-(dimethylamino)ethyl]-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 10740054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).