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

C20H22N2O2 — CID 10358765

IUPAC15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),8,10,12-pentaene-14,16-dione
SMILESCN(C)CCN1C(=O)c2cccc3cc4c(c(c23)C1=O)CCCC4
InChIInChI=1S/C20H22N2O2/c1-21(2)10-11-22-19(23)16-9-5-7-14-12-13-6-3-4-8-15(13)18(17(14)16)20(22)24/h5,7,9,12H,3-4,6,8,10-11H2,1-2H3
InChIKeyRNWQHCBXIKLSBU-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.88
Rot. Bonds3

About 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

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 (PubChem CID 10358765) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),8,10,12-pentaene-14,16-dione
PubChem CID10358765
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),8,10,12-pentaene-14,16-dione
SMILESCN(C)CCN1C(=O)c2cccc3cc4c(c(c23)C1=O)CCCC4
InChIInChI=1S/C20H22N2O2/c1-21(2)10-11-22-19(23)16-9-5-7-14-12-13-6-3-4-8-15(13)18(17(14)16)20(22)24/h5,7,9,12H,3-4,6,8,10-11H2,1-2H3
InChIKeyRNWQHCBXIKLSBU-UHFFFAOYSA-N
XLogP2.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 10358765) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)CCN1C(=O)c2cccc3cc4c(c(c23)C1=O)CCCC4.
What is the InChIKey of 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?
The InChIKey is RNWQHCBXIKLSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-21(2)10-11-22-19(23)16-9-5-7-14-12-13-6-3-4-8-15(13)18(17(14)16)20(22)24/h5,7,9,12H,3-4,6,8,10-11H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 322.41 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 10358765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).