2-hydroxy-1-(2-morpholin-4-ylethylimino)benzo[g]isoquinoline-5,10-dione;dihydrochloride

C19H21Cl2N3O4 — CID 67916555

IUPAC2-hydroxy-1-(2-morpholin-4-ylethylimino)benzo[g]isoquinoline-5,10-dione;dihydrochloride
SMILESCl.Cl.O=C1c2ccccc2C(=O)c2c1ccn(O)/c2=N\CCN1CCOCC1
InChIInChI=1S/C19H19N3O4.2ClH/c23-17-13-3-1-2-4-14(13)18(24)16-15(17)5-7-22(25)19(16)20-6-8-21-9-11-26-12-10-21;;/h1-5,7,25H,6,8-12H2;2*1H/b20-19-;;
InChIKeyHCYNCSYYRNZCPX-YSRXXYTISA-N
MW426.30 g/mol
LogP1.58
Rot. Bonds3

About 2-hydroxy-1-(2-morpholin-4-ylethylimino)benzo[g]isoquinoline-5,10-dione;dihydrochloride

2-hydroxy-1-(2-morpholin-4-ylethylimino)benzo[g]isoquinoline-5,10-dione;dihydrochloride (PubChem CID 67916555) has the molecular formula C19H21Cl2N3O4 and a molecular weight of 426.30 g/mol. Its IUPAC name is 2-hydroxy-1-(2-morpholin-4-ylethylimino)benzo[g]isoquinoline-5,10-dione;dihydrochloride.

Molecular Properties

Compound Name2-hydroxy-1-(2-morpholin-4-ylethylimino)benzo[g]isoquinoline-5,10-dione;dihydrochloride
PubChem CID67916555
Molecular FormulaC19H21Cl2N3O4
Molecular Weight426.30 g/mol
Exact Mass425.09
IUPAC Name2-hydroxy-1-(2-morpholin-4-ylethylimino)benzo[g]isoquinoline-5,10-dione;dihydrochloride
SMILESCl.Cl.O=C1c2ccccc2C(=O)c2c1ccn(O)/c2=N\CCN1CCOCC1
InChIInChI=1S/C19H19N3O4.2ClH/c23-17-13-3-1-2-4-14(13)18(24)16-15(17)5-7-22(25)19(16)20-6-8-21-9-11-26-12-10-21;;/h1-5,7,25H,6,8-12H2;2*1H/b20-19-;;
InChIKeyHCYNCSYYRNZCPX-YSRXXYTISA-N
XLogP1.58
TPSA84.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-(2-morpholin-4-ylethylimino)naphthalene-1,4-dione
CID 6928252
1-(2-morpholin-4-ylethylamino)anthracene-9,10-dione
CID 3959118
N-(3-morpholin-4-ylpropyl)-9-oxofluorene-4-carboxamide
CID 2818270
3-morpholin-4-yl-N-[5-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-1-yl]propanamide
CID 10815829
N-(2-morpholin-4-ylethyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide;hydrochloride
CID 71828610
4-ethoxy-5-(2-morpholin-4-ylethoxy)fluoren-9-one
CID 19594681
3,5-bis(2-morpholin-4-ylethoxy)fluoren-9-one
CID 57066277
ethane;1-fluoro-4-(3-morpholin-4-ylpropylamino)anthracene-9,10-dione
CID 144958240
2-(aminomethyl)-1-hydroxy-8-(2-morpholin-4-ylethoxy)anthracene-9,10-dione
CID 67872717
2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione;hydrochloride
CID 54688737
2-methyl-N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide
CID 1179676
1-[[(2S)-3-chloro-2-hydroxypropyl]amino]-4-(3-morpholin-4-ylpropylamino)anthracene-9,10-dione
CID 118498985

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(2-morpholin-4-ylethylimino)benzo[g]isoquinoline-5,10-dione;dihydrochloride?
The IUPAC name of 2-hydroxy-1-(2-morpholin-4-ylethylimino)benzo[g]isoquinoline-5,10-dione;dihydrochloride (CID 67916555) is 2-hydroxy-1-(2-morpholin-4-ylethylimino)benzo[g]isoquinoline-5,10-dione;dihydrochloride.
What is the SMILES notation for 2-hydroxy-1-(2-morpholin-4-ylethylimino)benzo[g]isoquinoline-5,10-dione;dihydrochloride?
The canonical SMILES for 2-hydroxy-1-(2-morpholin-4-ylethylimino)benzo[g]isoquinoline-5,10-dione;dihydrochloride is Cl.Cl.O=C1c2ccccc2C(=O)c2c1ccn(O)/c2=N\CCN1CCOCC1.
What is the InChIKey of 2-hydroxy-1-(2-morpholin-4-ylethylimino)benzo[g]isoquinoline-5,10-dione;dihydrochloride?
The InChIKey is HCYNCSYYRNZCPX-YSRXXYTISA-N. The full InChI is InChI=1S/C19H19N3O4.2ClH/c23-17-13-3-1-2-4-14(13)18(24)16-15(17)5-7-22(25)19(16)20-6-8-21-9-11-26-12-10-21;;/h1-5,7,25H,6,8-12H2;2*1H/b20-19-;;.
What are the key properties of 2-hydroxy-1-(2-morpholin-4-ylethylimino)benzo[g]isoquinoline-5,10-dione;dihydrochloride?
2-hydroxy-1-(2-morpholin-4-ylethylimino)benzo[g]isoquinoline-5,10-dione;dihydrochloride has a molecular weight of 426.30 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(2-morpholin-4-ylethylimino)benzo[g]isoquinoline-5,10-dione;dihydrochloride is sourced from PubChem (CID 67916555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).