15-[2-(dimethylamino)ethyl]-14-hydroxy-8-imino-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-16-one

C20H19N3O2 — CID 135428148

IUPAC15-[2-(dimethylamino)ethyl]-14-hydroxy-8-imino-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-16-one
SMILES[H]/N=C1\c2ccccc2-c2c(=O)n(CCN(C)C)c(O)c3cccc1c23
InChIInChI=1S/C20H19N3O2/c1-22(2)10-11-23-19(24)15-9-5-8-14-16(15)17(20(23)25)12-6-3-4-7-13(12)18(14)21/h3-9,21,24H,10-11H2,1-2H3/b21-18+
InChIKeyZPOTUSOXKPNVQF-DYTRJAOYSA-N
MW333.39 g/mol
LogP2.67
Rot. Bonds3

About 15-[2-(dimethylamino)ethyl]-14-hydroxy-8-imino-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-16-one

15-[2-(dimethylamino)ethyl]-14-hydroxy-8-imino-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-16-one (PubChem CID 135428148) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 15-[2-(dimethylamino)ethyl]-14-hydroxy-8-imino-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-16-one.

Molecular Properties

Compound Name15-[2-(dimethylamino)ethyl]-14-hydroxy-8-imino-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-16-one
PubChem CID135428148
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name15-[2-(dimethylamino)ethyl]-14-hydroxy-8-imino-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-16-one
SMILES[H]/N=C1\c2ccccc2-c2c(=O)n(CCN(C)C)c(O)c3cccc1c23
InChIInChI=1S/C20H19N3O2/c1-22(2)10-11-23-19(24)15-9-5-8-14-16(15)17(20(23)25)12-6-3-4-7-13(12)18(14)21/h3-9,21,24H,10-11H2,1-2H3/b21-18+
InChIKeyZPOTUSOXKPNVQF-DYTRJAOYSA-N
XLogP2.67
TPSA69.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 15-[2-(dimethylamino)ethyl]-14-hydroxy-8-imino-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-16-one 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-(dimethylamino)ethyl]-14-hydroxy-8-imino-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-16-one?
The IUPAC name of 15-[2-(dimethylamino)ethyl]-14-hydroxy-8-imino-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-16-one (CID 135428148) is 15-[2-(dimethylamino)ethyl]-14-hydroxy-8-imino-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-16-one.
What is the SMILES notation for 15-[2-(dimethylamino)ethyl]-14-hydroxy-8-imino-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-16-one?
The canonical SMILES for 15-[2-(dimethylamino)ethyl]-14-hydroxy-8-imino-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-16-one is [H]/N=C1\c2ccccc2-c2c(=O)n(CCN(C)C)c(O)c3cccc1c23.
What is the InChIKey of 15-[2-(dimethylamino)ethyl]-14-hydroxy-8-imino-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-16-one?
The InChIKey is ZPOTUSOXKPNVQF-DYTRJAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-22(2)10-11-23-19(24)15-9-5-8-14-16(15)17(20(23)25)12-6-3-4-7-13(12)18(14)21/h3-9,21,24H,10-11H2,1-2H3/b21-18+.
What are the key properties of 15-[2-(dimethylamino)ethyl]-14-hydroxy-8-imino-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-16-one?
15-[2-(dimethylamino)ethyl]-14-hydroxy-8-imino-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-16-one has a molecular weight of 333.39 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[2-(dimethylamino)ethyl]-14-hydroxy-8-imino-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-16-one is sourced from PubChem (CID 135428148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).