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

C20H17FN2O2 — CID 10246393

IUPAC15-[2-(dimethylamino)ethyl]-4-fluoro-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione
SMILESCN(C)CCN1C(=O)c2cccc3cc4ccc(F)cc4c(c23)C1=O
InChIInChI=1S/C20H17FN2O2/c1-22(2)8-9-23-19(24)15-5-3-4-13-10-12-6-7-14(21)11-16(12)18(17(13)15)20(23)25/h3-7,10-11H,8-9H2,1-2H3
InChIKeyUTRDZYGJHPDYQI-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.29
Rot. Bonds3

About 15-[2-(dimethylamino)ethyl]-4-fluoro-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-fluoro-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 10246393) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 15-[2-(dimethylamino)ethyl]-4-fluoro-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-fluoro-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione
PubChem CID10246393
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name15-[2-(dimethylamino)ethyl]-4-fluoro-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione
SMILESCN(C)CCN1C(=O)c2cccc3cc4ccc(F)cc4c(c23)C1=O
InChIInChI=1S/C20H17FN2O2/c1-22(2)8-9-23-19(24)15-5-3-4-13-10-12-6-7-14(21)11-16(12)18(17(13)15)20(23)25/h3-7,10-11H,8-9H2,1-2H3
InChIKeyUTRDZYGJHPDYQI-UHFFFAOYSA-N
XLogP3.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.29
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-(dimethylamino)ethyl]-4-fluoro-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-fluoro-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-fluoro-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione (CID 10246393) is 15-[2-(dimethylamino)ethyl]-4-fluoro-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-fluoro-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-fluoro-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione is CN(C)CCN1C(=O)c2cccc3cc4ccc(F)cc4c(c23)C1=O.
What is the InChIKey of 15-[2-(dimethylamino)ethyl]-4-fluoro-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 UTRDZYGJHPDYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-22(2)8-9-23-19(24)15-5-3-4-13-10-12-6-7-14(21)11-16(12)18(17(13)15)20(23)25/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 15-[2-(dimethylamino)ethyl]-4-fluoro-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-fluoro-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 336.37 g/mol, XLogP of 3.29, 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]-4-fluoro-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 10246393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).