15-[2-(dimethylamino)ethyl]-4-ethoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione

C22H22N2O3 — CID 10594815

IUPAC15-[2-(dimethylamino)ethyl]-4-ethoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione
SMILESCCOc1ccc2cc3cccc4c3c(c2c1)C(=O)N(CCN(C)C)C4=O
InChIInChI=1S/C22H22N2O3/c1-4-27-16-9-8-14-12-15-6-5-7-17-19(15)20(18(14)13-16)22(26)24(21(17)25)11-10-23(2)3/h5-9,12-13H,4,10-11H2,1-3H3
InChIKeyCVNLZNFCDRHJRT-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.55
Rot. Bonds5

About 15-[2-(dimethylamino)ethyl]-4-ethoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione

15-[2-(dimethylamino)ethyl]-4-ethoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione (PubChem CID 10594815) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 15-[2-(dimethylamino)ethyl]-4-ethoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione.

Molecular Properties

Compound Name15-[2-(dimethylamino)ethyl]-4-ethoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione
PubChem CID10594815
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name15-[2-(dimethylamino)ethyl]-4-ethoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione
SMILESCCOc1ccc2cc3cccc4c3c(c2c1)C(=O)N(CCN(C)C)C4=O
InChIInChI=1S/C22H22N2O3/c1-4-27-16-9-8-14-12-15-6-5-7-17-19(15)20(18(14)13-16)22(26)24(21(17)25)11-10-23(2)3/h5-9,12-13H,4,10-11H2,1-3H3
InChIKeyCVNLZNFCDRHJRT-UHFFFAOYSA-N
XLogP3.55
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.55
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]-4-ethoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-[2-(dimethylamino)ethyl]-4-ethoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione?
The IUPAC name of 15-[2-(dimethylamino)ethyl]-4-ethoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione (CID 10594815) is 15-[2-(dimethylamino)ethyl]-4-ethoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione.
What is the SMILES notation for 15-[2-(dimethylamino)ethyl]-4-ethoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione?
The canonical SMILES for 15-[2-(dimethylamino)ethyl]-4-ethoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione is CCOc1ccc2cc3cccc4c3c(c2c1)C(=O)N(CCN(C)C)C4=O.
What is the InChIKey of 15-[2-(dimethylamino)ethyl]-4-ethoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione?
The InChIKey is CVNLZNFCDRHJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-4-27-16-9-8-14-12-15-6-5-7-17-19(15)20(18(14)13-16)22(26)24(21(17)25)11-10-23(2)3/h5-9,12-13H,4,10-11H2,1-3H3.
What are the key properties of 15-[2-(dimethylamino)ethyl]-4-ethoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione?
15-[2-(dimethylamino)ethyl]-4-ethoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione has a molecular weight of 362.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[2-(dimethylamino)ethyl]-4-ethoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione is sourced from PubChem (CID 10594815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).