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

C21H20N2O3 — CID 10831573

IUPAC15-[2-(dimethylamino)ethyl]-8-methoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
SMILESCOc1c2ccccc2c2c3c(cccc13)C(=O)N(CCN(C)C)C2=O
InChIInChI=1S/C21H20N2O3/c1-22(2)11-12-23-20(24)16-10-6-9-15-17(16)18(21(23)25)13-7-4-5-8-14(13)19(15)26-3/h4-10H,11-12H2,1-3H3
InChIKeyPDVLBQLZHGQWHF-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.16
Rot. Bonds4

About 15-[2-(dimethylamino)ethyl]-8-methoxy-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]-8-methoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione (PubChem CID 10831573) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 15-[2-(dimethylamino)ethyl]-8-methoxy-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]-8-methoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
PubChem CID10831573
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name15-[2-(dimethylamino)ethyl]-8-methoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
SMILESCOc1c2ccccc2c2c3c(cccc13)C(=O)N(CCN(C)C)C2=O
InChIInChI=1S/C21H20N2O3/c1-22(2)11-12-23-20(24)16-10-6-9-15-17(16)18(21(23)25)13-7-4-5-8-14(13)19(15)26-3/h4-10H,11-12H2,1-3H3
InChIKeyPDVLBQLZHGQWHF-UHFFFAOYSA-N
XLogP3.16
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.16
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]-8-methoxy-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]-8-methoxy-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]-8-methoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione (CID 10831573) is 15-[2-(dimethylamino)ethyl]-8-methoxy-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]-8-methoxy-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]-8-methoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione is COc1c2ccccc2c2c3c(cccc13)C(=O)N(CCN(C)C)C2=O.
What is the InChIKey of 15-[2-(dimethylamino)ethyl]-8-methoxy-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 PDVLBQLZHGQWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-22(2)11-12-23-20(24)16-10-6-9-15-17(16)18(21(23)25)13-7-4-5-8-14(13)19(15)26-3/h4-10H,11-12H2,1-3H3.
What are the key properties of 15-[2-(dimethylamino)ethyl]-8-methoxy-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]-8-methoxy-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 348.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[2-(dimethylamino)ethyl]-8-methoxy-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 10831573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).