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

C23H22N2O2 — CID 10338454

IUPAC15-[2-(1-methylpyrrolidin-2-yl)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
SMILESCN1CCCC1CCN1C(=O)c2cccc3cc4ccccc4c(c23)C1=O
InChIInChI=1S/C23H22N2O2/c1-24-12-5-8-17(24)11-13-25-22(26)19-10-4-7-16-14-15-6-2-3-9-18(15)21(20(16)19)23(25)27/h2-4,6-7,9-10,14,17H,5,8,11-13H2,1H3
InChIKeyFQVXJULJMNBUNX-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.07
Rot. Bonds3

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

15-[2-(1-methylpyrrolidin-2-yl)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione (PubChem CID 10338454) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 15-[2-(1-methylpyrrolidin-2-yl)ethyl]-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-(1-methylpyrrolidin-2-yl)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
PubChem CID10338454
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name15-[2-(1-methylpyrrolidin-2-yl)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
SMILESCN1CCCC1CCN1C(=O)c2cccc3cc4ccccc4c(c23)C1=O
InChIInChI=1S/C23H22N2O2/c1-24-12-5-8-17(24)11-13-25-22(26)19-10-4-7-16-14-15-6-2-3-9-18(15)21(20(16)19)23(25)27/h2-4,6-7,9-10,14,17H,5,8,11-13H2,1H3
InChIKeyFQVXJULJMNBUNX-UHFFFAOYSA-N
XLogP4.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 15-[2-(1-methylpyrrolidin-2-yl)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 15-[2-(1-methylpyrrolidin-2-yl)ethyl]-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-(1-methylpyrrolidin-2-yl)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione (CID 10338454) is 15-[2-(1-methylpyrrolidin-2-yl)ethyl]-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-(1-methylpyrrolidin-2-yl)ethyl]-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-(1-methylpyrrolidin-2-yl)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione is CN1CCCC1CCN1C(=O)c2cccc3cc4ccccc4c(c23)C1=O.
What is the InChIKey of 15-[2-(1-methylpyrrolidin-2-yl)ethyl]-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 FQVXJULJMNBUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-24-12-5-8-17(24)11-13-25-22(26)19-10-4-7-16-14-15-6-2-3-9-18(15)21(20(16)19)23(25)27/h2-4,6-7,9-10,14,17H,5,8,11-13H2,1H3.
What are the key properties of 15-[2-(1-methylpyrrolidin-2-yl)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione?
15-[2-(1-methylpyrrolidin-2-yl)ethyl]-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 358.44 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[2-(1-methylpyrrolidin-2-yl)ethyl]-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 10338454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).