9-[2-(dimethylamino)ethylamino]-5-methylsulfanyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one

C20H20N4OS — CID 23448035

IUPAC9-[2-(dimethylamino)ethylamino]-5-methylsulfanyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one
SMILESCSc1ccc2c3c(c(NCCN(C)C)nc2c1)C(=O)c1cnccc1-3
InChIInChI=1S/C20H20N4OS/c1-24(2)9-8-22-20-18-17(13-6-7-21-11-15(13)19(18)25)14-5-4-12(26-3)10-16(14)23-20/h4-7,10-11H,8-9H2,1-3H3,(H,22,23)
InChIKeyJXKBIDAFPKRNCC-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.54
Rot. Bonds5

About 9-[2-(dimethylamino)ethylamino]-5-methylsulfanyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one

9-[2-(dimethylamino)ethylamino]-5-methylsulfanyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one (PubChem CID 23448035) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is 9-[2-(dimethylamino)ethylamino]-5-methylsulfanyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one.

Molecular Properties

Compound Name9-[2-(dimethylamino)ethylamino]-5-methylsulfanyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one
PubChem CID23448035
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name9-[2-(dimethylamino)ethylamino]-5-methylsulfanyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one
SMILESCSc1ccc2c3c(c(NCCN(C)C)nc2c1)C(=O)c1cnccc1-3
InChIInChI=1S/C20H20N4OS/c1-24(2)9-8-22-20-18-17(13-6-7-21-11-15(13)19(18)25)14-5-4-12(26-3)10-16(14)23-20/h4-7,10-11H,8-9H2,1-3H3,(H,22,23)
InChIKeyJXKBIDAFPKRNCC-UHFFFAOYSA-N
XLogP3.54
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-[2-(dimethylamino)ethylamino]-5-methylsulfanyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one 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

5-methoxy-9-[2-[3-[2-[(5-methoxy-11-oxo-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-9-yl)amino]ethyl-methylamino]propyl-methylamino]ethylamino]-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one
CID 10055580
5-chloro-9-[2-[3-[2-[(5-chloro-11-oxo-8,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-9-yl)amino]ethyl-methylamino]propyl-methylamino]ethylamino]-8,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one
CID 10417414
(5-methylsulfanyl-11-oxo-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-9-yl) 4-methylbenzenesulfonate
CID 87890527
[6-[2-(dimethylamino)ethylamino]-7-oxoindeno[2,1-c]quinolin-3-yl] 2,2-dimethylpropanoate
CID 22371660
7,9-bis[2-(dimethylamino)ethylamino]benzo[g]isoquinoline-5,10-dione
CID 10714879
9-[2-(dimethylamino)ethylamino]-11-nitroso-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-5-ol
CID 136627535
9-[2-[3-[2-[[4-ethyl-3-(3-methyliminoprop-1-en-2-yloxy)quinolin-2-yl]amino]ethyl-methylamino]propyl-methylamino]ethylamino]-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-11-one
CID 142825622
N',N'-dimethyl-N-[8-(4H-triazol-5-yl)benzo[c][2,6]naphthyridin-5-yl]ethane-1,2-diamine
CID 58485237
14-(2-aminoethyl)-10-[2-(dimethylamino)ethylamino]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one
CID 10641601
1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]propan-1-one
CID 147081982
1,4-bis[3-(dimethylamino)propylamino]benzo[g]phthalazine-5,10-dione;trihydrochloride
CID 19811416
N',N'-dimethyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine
CID 18549044

Frequently Asked Questions

What is the IUPAC name of 9-[2-(dimethylamino)ethylamino]-5-methylsulfanyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one?
The IUPAC name of 9-[2-(dimethylamino)ethylamino]-5-methylsulfanyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one (CID 23448035) is 9-[2-(dimethylamino)ethylamino]-5-methylsulfanyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one.
What is the SMILES notation for 9-[2-(dimethylamino)ethylamino]-5-methylsulfanyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one?
The canonical SMILES for 9-[2-(dimethylamino)ethylamino]-5-methylsulfanyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one is CSc1ccc2c3c(c(NCCN(C)C)nc2c1)C(=O)c1cnccc1-3.
What is the InChIKey of 9-[2-(dimethylamino)ethylamino]-5-methylsulfanyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one?
The InChIKey is JXKBIDAFPKRNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-24(2)9-8-22-20-18-17(13-6-7-21-11-15(13)19(18)25)14-5-4-12(26-3)10-16(14)23-20/h4-7,10-11H,8-9H2,1-3H3,(H,22,23).
What are the key properties of 9-[2-(dimethylamino)ethylamino]-5-methylsulfanyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one?
9-[2-(dimethylamino)ethylamino]-5-methylsulfanyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one has a molecular weight of 364.47 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(dimethylamino)ethylamino]-5-methylsulfanyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one is sourced from PubChem (CID 23448035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).