7,9-bis[2-(dimethylamino)ethylamino]benzo[g]isoquinoline-5,10-dione

C21H27N5O2 — CID 10714879

IUPAC7,9-bis[2-(dimethylamino)ethylamino]benzo[g]isoquinoline-5,10-dione
SMILESCN(C)CCNc1cc(NCCN(C)C)c2c(c1)C(=O)c1ccncc1C2=O
InChIInChI=1S/C21H27N5O2/c1-25(2)9-7-23-14-11-16-19(18(12-14)24-8-10-26(3)4)21(28)17-13-22-6-5-15(17)20(16)27/h5-6,11-13,23-24H,7-10H2,1-4H3
InChIKeyJYMOIUNAGNRFOM-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.80
Rot. Bonds8

About 7,9-bis[2-(dimethylamino)ethylamino]benzo[g]isoquinoline-5,10-dione

7,9-bis[2-(dimethylamino)ethylamino]benzo[g]isoquinoline-5,10-dione (PubChem CID 10714879) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 7,9-bis[2-(dimethylamino)ethylamino]benzo[g]isoquinoline-5,10-dione.

Molecular Properties

Compound Name7,9-bis[2-(dimethylamino)ethylamino]benzo[g]isoquinoline-5,10-dione
PubChem CID10714879
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name7,9-bis[2-(dimethylamino)ethylamino]benzo[g]isoquinoline-5,10-dione
SMILESCN(C)CCNc1cc(NCCN(C)C)c2c(c1)C(=O)c1ccncc1C2=O
InChIInChI=1S/C21H27N5O2/c1-25(2)9-7-23-14-11-16-19(18(12-14)24-8-10-26(3)4)21(28)17-13-22-6-5-15(17)20(16)27/h5-6,11-13,23-24H,7-10H2,1-4H3
InChIKeyJYMOIUNAGNRFOM-UHFFFAOYSA-N
XLogP1.80
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

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
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
2-[[9-(2-aminoethylamino)-5,10-dioxobenzo[g]isoquinolin-6-yl]amino]ethylazanium
CID 163863966
6,9-bis(1-aminoethylamino)benzo[g]isoquinoline-5,10-dione
CID 67691791
6,9-bis[3-(1-oxidoaziridin-1-ium-1-yl)propylamino]benzo[g]isoquinoline-5,10-dione
CID 11590219
1-[3-(dimethylamino)propylamino]-6-methylanthracene-9,10-dione
CID 175308247
6-(2-hydroxyethylamino)isoquinoline-5,8-dione
CID 45093493
1,5-bis[3-(dimethylamino)propylamino]anthracene-9,10-dione;dihydrochloride
CID 131875153
6,9-bis[2-(2-hydroxyethylamino)ethylamino]benzo[g]isoquinoline-5,10-dione;(Z)-but-2-enedioic acid
CID 10256421
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
2-[2-(dimethylamino)ethylamino]benzo[g]quinoline-5,10-dione
CID 67868318
3-[2-(dimethylamino)ethyl]-1-(7-hydroxyheptyl)pyrrolo[3,2-g]isoquinoline-4,9-dione
CID 54586773

Frequently Asked Questions

What is the IUPAC name of 7,9-bis[2-(dimethylamino)ethylamino]benzo[g]isoquinoline-5,10-dione?
The IUPAC name of 7,9-bis[2-(dimethylamino)ethylamino]benzo[g]isoquinoline-5,10-dione (CID 10714879) is 7,9-bis[2-(dimethylamino)ethylamino]benzo[g]isoquinoline-5,10-dione.
What is the SMILES notation for 7,9-bis[2-(dimethylamino)ethylamino]benzo[g]isoquinoline-5,10-dione?
The canonical SMILES for 7,9-bis[2-(dimethylamino)ethylamino]benzo[g]isoquinoline-5,10-dione is CN(C)CCNc1cc(NCCN(C)C)c2c(c1)C(=O)c1ccncc1C2=O.
What is the InChIKey of 7,9-bis[2-(dimethylamino)ethylamino]benzo[g]isoquinoline-5,10-dione?
The InChIKey is JYMOIUNAGNRFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-25(2)9-7-23-14-11-16-19(18(12-14)24-8-10-26(3)4)21(28)17-13-22-6-5-15(17)20(16)27/h5-6,11-13,23-24H,7-10H2,1-4H3.
What are the key properties of 7,9-bis[2-(dimethylamino)ethylamino]benzo[g]isoquinoline-5,10-dione?
7,9-bis[2-(dimethylamino)ethylamino]benzo[g]isoquinoline-5,10-dione has a molecular weight of 381.48 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-bis[2-(dimethylamino)ethylamino]benzo[g]isoquinoline-5,10-dione is sourced from PubChem (CID 10714879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).