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

C20H18N2O3 — CID 10426999

IUPAC15-[2-(dimethylamino)ethyl]-5-hydroxy-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)c2cccc3cc4cc(O)ccc4c(c23)C1=O
InChIInChI=1S/C20H18N2O3/c1-21(2)8-9-22-19(24)16-5-3-4-12-10-13-11-14(23)6-7-15(13)18(17(12)16)20(22)25/h3-7,10-11,23H,8-9H2,1-2H3
InChIKeyFGYONXPSZOCZMC-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.86
Rot. Bonds3

About 15-[2-(dimethylamino)ethyl]-5-hydroxy-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]-5-hydroxy-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 10426999) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 15-[2-(dimethylamino)ethyl]-5-hydroxy-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]-5-hydroxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione
PubChem CID10426999
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name15-[2-(dimethylamino)ethyl]-5-hydroxy-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)c2cccc3cc4cc(O)ccc4c(c23)C1=O
InChIInChI=1S/C20H18N2O3/c1-21(2)8-9-22-19(24)16-5-3-4-12-10-13-11-14(23)6-7-15(13)18(17(12)16)20(22)25/h3-7,10-11,23H,8-9H2,1-2H3
InChIKeyFGYONXPSZOCZMC-UHFFFAOYSA-N
XLogP2.86
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
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]-5-hydroxy-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

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

Launch Full Analysis

Related Compounds

CID 119029
CID 119029
CID 10522660
CID 10522660
CID 2494
CID 2494
CID 796808
CID 796808
CID 3659429
CID 3659429
CID 10090039
CID 10090039
CID 10252438
CID 10252438
CID 11827173
CID 11827173
CID 22729898
CID 22729898
CID 698250
CID 698250
CID 10593844
CID 10593844
CID 10759138
CID 10759138

Frequently Asked Questions

What is the IUPAC name of 15-[2-(dimethylamino)ethyl]-5-hydroxy-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]-5-hydroxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione (CID 10426999) is 15-[2-(dimethylamino)ethyl]-5-hydroxy-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]-5-hydroxy-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]-5-hydroxy-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)c2cccc3cc4cc(O)ccc4c(c23)C1=O.
What is the InChIKey of 15-[2-(dimethylamino)ethyl]-5-hydroxy-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 FGYONXPSZOCZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-21(2)8-9-22-19(24)16-5-3-4-12-10-13-11-14(23)6-7-15(13)18(17(12)16)20(22)25/h3-7,10-11,23H,8-9H2,1-2H3.
What are the key properties of 15-[2-(dimethylamino)ethyl]-5-hydroxy-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]-5-hydroxy-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 334.38 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[2-(dimethylamino)ethyl]-5-hydroxy-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 10426999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).