14-[2-(dimethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one

C20H18N2O2 — CID 53231529

IUPAC14-[2-(dimethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one
SMILESCN(C)CCOc1cnc2c3c(cccc13)C(=O)c1ccccc1-2
InChIInChI=1S/C20H18N2O2/c1-22(2)10-11-24-17-12-21-19-13-6-3-4-7-14(13)20(23)16-9-5-8-15(17)18(16)19/h3-9,12H,10-11H2,1-2H3
InChIKeyYJUZOLKITOBRRR-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.39
Rot. Bonds4

About 14-[2-(dimethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one

14-[2-(dimethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one (PubChem CID 53231529) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 14-[2-(dimethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one.

Molecular Properties

Compound Name14-[2-(dimethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one
PubChem CID53231529
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name14-[2-(dimethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one
SMILESCN(C)CCOc1cnc2c3c(cccc13)C(=O)c1ccccc1-2
InChIInChI=1S/C20H18N2O2/c1-22(2)10-11-24-17-12-21-19-13-6-3-4-7-14(13)20(23)16-9-5-8-15(17)18(16)19/h3-9,12H,10-11H2,1-2H3
InChIKeyYJUZOLKITOBRRR-UHFFFAOYSA-N
XLogP3.39
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-[2-(dimethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-[2-(dimethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one?
The IUPAC name of 14-[2-(dimethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one (CID 53231529) is 14-[2-(dimethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one.
What is the SMILES notation for 14-[2-(dimethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one?
The canonical SMILES for 14-[2-(dimethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one is CN(C)CCOc1cnc2c3c(cccc13)C(=O)c1ccccc1-2.
What is the InChIKey of 14-[2-(dimethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one?
The InChIKey is YJUZOLKITOBRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-22(2)10-11-24-17-12-21-19-13-6-3-4-7-14(13)20(23)16-9-5-8-15(17)18(16)19/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 14-[2-(dimethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one?
14-[2-(dimethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one has a molecular weight of 318.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[2-(dimethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one is sourced from PubChem (CID 53231529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).