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

C21H20N2O2S — CID 10713824

IUPAC15-[2-(dimethylamino)ethyl]-10-methylsulfanyl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
SMILESCSc1ccc2c3c(c4ccccc4cc13)C(=O)N(CCN(C)C)C2=O
InChIInChI=1S/C21H20N2O2S/c1-22(2)10-11-23-20(24)15-8-9-17(26-3)16-12-13-6-4-5-7-14(13)19(18(15)16)21(23)25/h4-9,12H,10-11H2,1-3H3
InChIKeyQMMPNWZCSHBSEC-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.87
Rot. Bonds4

About 15-[2-(dimethylamino)ethyl]-10-methylsulfanyl-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-methylsulfanyl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione (PubChem CID 10713824) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 15-[2-(dimethylamino)ethyl]-10-methylsulfanyl-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-methylsulfanyl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
PubChem CID10713824
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name15-[2-(dimethylamino)ethyl]-10-methylsulfanyl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
SMILESCSc1ccc2c3c(c4ccccc4cc13)C(=O)N(CCN(C)C)C2=O
InChIInChI=1S/C21H20N2O2S/c1-22(2)10-11-23-20(24)15-8-9-17(26-3)16-12-13-6-4-5-7-14(13)19(18(15)16)21(23)25/h4-9,12H,10-11H2,1-3H3
InChIKeyQMMPNWZCSHBSEC-UHFFFAOYSA-N
XLogP3.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.87
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-methylsulfanyl-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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15-[2-(Dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),8,10,12-pentaene-14,16-dione
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Frequently Asked Questions

What is the IUPAC name of 15-[2-(dimethylamino)ethyl]-10-methylsulfanyl-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-methylsulfanyl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione (CID 10713824) is 15-[2-(dimethylamino)ethyl]-10-methylsulfanyl-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-methylsulfanyl-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-methylsulfanyl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione is CSc1ccc2c3c(c4ccccc4cc13)C(=O)N(CCN(C)C)C2=O.
What is the InChIKey of 15-[2-(dimethylamino)ethyl]-10-methylsulfanyl-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 QMMPNWZCSHBSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-22(2)10-11-23-20(24)15-8-9-17(26-3)16-12-13-6-4-5-7-14(13)19(18(15)16)21(23)25/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 15-[2-(dimethylamino)ethyl]-10-methylsulfanyl-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-methylsulfanyl-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 364.47 g/mol, XLogP of 3.87, 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]-10-methylsulfanyl-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 10713824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).