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

C20H18N2O3 — CID 10404640

IUPAC15-[2-(2-hydroxyethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
SMILESO=C1c2cccc3cc4ccccc4c(c23)C(=O)N1CCNCCO
InChIInChI=1S/C20H18N2O3/c23-11-9-21-8-10-22-19(24)16-7-3-5-14-12-13-4-1-2-6-15(13)18(17(14)16)20(22)25/h1-7,12,21,23H,8-11H2
InChIKeyGWZMPDDQYLCEJQ-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.17
Rot. Bonds5

About 15-[2-(2-hydroxyethylamino)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-(2-hydroxyethylamino)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 10404640) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 15-[2-(2-hydroxyethylamino)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-(2-hydroxyethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
PubChem CID10404640
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name15-[2-(2-hydroxyethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
SMILESO=C1c2cccc3cc4ccccc4c(c23)C(=O)N1CCNCCO
InChIInChI=1S/C20H18N2O3/c23-11-9-21-8-10-22-19(24)16-7-3-5-14-12-13-4-1-2-6-15(13)18(17(14)16)20(22)25/h1-7,12,21,23H,8-11H2
InChIKeyGWZMPDDQYLCEJQ-UHFFFAOYSA-N
XLogP2.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 15-[2-(2-hydroxyethylamino)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

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Frequently Asked Questions

What is the IUPAC name of 15-[2-(2-hydroxyethylamino)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-(2-hydroxyethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione (CID 10404640) is 15-[2-(2-hydroxyethylamino)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-(2-hydroxyethylamino)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-(2-hydroxyethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione is O=C1c2cccc3cc4ccccc4c(c23)C(=O)N1CCNCCO.
What is the InChIKey of 15-[2-(2-hydroxyethylamino)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 GWZMPDDQYLCEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c23-11-9-21-8-10-22-19(24)16-7-3-5-14-12-13-4-1-2-6-15(13)18(17(14)16)20(22)25/h1-7,12,21,23H,8-11H2.
What are the key properties of 15-[2-(2-hydroxyethylamino)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-(2-hydroxyethylamino)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 334.38 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[2-(2-hydroxyethylamino)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 10404640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).