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

C23H24N2O3 — CID 11793938

IUPAC15-[2-(dimethylamino)ethyl]-10-propoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
SMILESCCCOc1ccc2c3c(c4ccccc4cc13)C(=O)N(CCN(C)C)C2=O
InChIInChI=1S/C23H24N2O3/c1-4-13-28-19-10-9-17-20-18(19)14-15-7-5-6-8-16(15)21(20)23(27)25(22(17)26)12-11-24(2)3/h5-10,14H,4,11-13H2,1-3H3
InChIKeyUDHZLIWNSDUWDK-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.94
Rot. Bonds6

About 15-[2-(dimethylamino)ethyl]-10-propoxy-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-propoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione (PubChem CID 11793938) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 15-[2-(dimethylamino)ethyl]-10-propoxy-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-propoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
PubChem CID11793938
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name15-[2-(dimethylamino)ethyl]-10-propoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
SMILESCCCOc1ccc2c3c(c4ccccc4cc13)C(=O)N(CCN(C)C)C2=O
InChIInChI=1S/C23H24N2O3/c1-4-13-28-19-10-9-17-20-18(19)14-15-7-5-6-8-16(15)21(20)23(27)25(22(17)26)12-11-24(2)3/h5-10,14H,4,11-13H2,1-3H3
InChIKeyUDHZLIWNSDUWDK-UHFFFAOYSA-N
XLogP3.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-propoxy-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-propoxy-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-propoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione (CID 11793938) is 15-[2-(dimethylamino)ethyl]-10-propoxy-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-propoxy-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-propoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione is CCCOc1ccc2c3c(c4ccccc4cc13)C(=O)N(CCN(C)C)C2=O.
What is the InChIKey of 15-[2-(dimethylamino)ethyl]-10-propoxy-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 UDHZLIWNSDUWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-4-13-28-19-10-9-17-20-18(19)14-15-7-5-6-8-16(15)21(20)23(27)25(22(17)26)12-11-24(2)3/h5-10,14H,4,11-13H2,1-3H3.
What are the key properties of 15-[2-(dimethylamino)ethyl]-10-propoxy-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-propoxy-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 376.46 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[2-(dimethylamino)ethyl]-10-propoxy-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 11793938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).