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

C22H23N3O3 — CID 10785822

IUPAC15-[2-(dimethylamino)ethyl]-10-(2-hydroxyethylamino)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
SMILESCN(C)CCN1C(=O)c2ccc(NCCO)c3cc4ccccc4c(c23)C1=O
InChIInChI=1S/C22H23N3O3/c1-24(2)10-11-25-21(27)16-7-8-18(23-9-12-26)17-13-14-5-3-4-6-15(14)20(19(16)17)22(25)28/h3-8,13,23,26H,9-12H2,1-2H3
InChIKeyACTOOOXFSTWXSV-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.55
Rot. Bonds6

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

15-[2-(dimethylamino)ethyl]-10-(2-hydroxyethylamino)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione (PubChem CID 10785822) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 15-[2-(dimethylamino)ethyl]-10-(2-hydroxyethylamino)-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-(dimethylamino)ethyl]-10-(2-hydroxyethylamino)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
PubChem CID10785822
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name15-[2-(dimethylamino)ethyl]-10-(2-hydroxyethylamino)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
SMILESCN(C)CCN1C(=O)c2ccc(NCCO)c3cc4ccccc4c(c23)C1=O
InChIInChI=1S/C22H23N3O3/c1-24(2)10-11-25-21(27)16-7-8-18(23-9-12-26)17-13-14-5-3-4-6-15(14)20(19(16)17)22(25)28/h3-8,13,23,26H,9-12H2,1-2H3
InChIKeyACTOOOXFSTWXSV-UHFFFAOYSA-N
XLogP2.55
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Amonafide
CID 50515
2-butyl-6-(butylamino)-1H-benzo(de)isoquinoline-1,3(2H)-dione
CID 87935
Solvent Yellow 44
CID 75589
4-Amino-N-phenyl-1,8-naphthalimide
CID 202512
1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-amino-2-(2-(diethylamino)ethyl)-
CID 328773
2-(3-Bromophenyl)-6-((2-hydroxyethyl)amino)-1H-benzo(DE)isoquinoline-1,3(2H)-dione
CID 4177750
6-Dimethylamino-2-methyl-benzo[de]isoquinoline-1,3-dione
CID 2849973
2-(3-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)propyl)phenanthridin-6(5H)-one
CID 10216071
3-Morpholin-4-ylmethyl-5H-phenanthridin-6-one
CID 44403357
SARS-CoV-2 PLpro Inhibitor, 8
CID 156907157
SARS-CoV-2 PLpro Inhibitor, 9
CID 156907158
Yqnkitkmolerfy-uhfffaoysa-
CID 10501415

Frequently Asked Questions

What is the IUPAC name of 15-[2-(dimethylamino)ethyl]-10-(2-hydroxyethylamino)-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-(dimethylamino)ethyl]-10-(2-hydroxyethylamino)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione (CID 10785822) is 15-[2-(dimethylamino)ethyl]-10-(2-hydroxyethylamino)-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-(dimethylamino)ethyl]-10-(2-hydroxyethylamino)-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-(dimethylamino)ethyl]-10-(2-hydroxyethylamino)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione is CN(C)CCN1C(=O)c2ccc(NCCO)c3cc4ccccc4c(c23)C1=O.
What is the InChIKey of 15-[2-(dimethylamino)ethyl]-10-(2-hydroxyethylamino)-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 ACTOOOXFSTWXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-24(2)10-11-25-21(27)16-7-8-18(23-9-12-26)17-13-14-5-3-4-6-15(14)20(19(16)17)22(25)28/h3-8,13,23,26H,9-12H2,1-2H3.
What are the key properties of 15-[2-(dimethylamino)ethyl]-10-(2-hydroxyethylamino)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione?
15-[2-(dimethylamino)ethyl]-10-(2-hydroxyethylamino)-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 377.44 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[2-(dimethylamino)ethyl]-10-(2-hydroxyethylamino)-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 10785822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).