1-N,7-N-bis[2-[2-(dimethylamino)ethoxy]ethyl]quinolino[8,7-h]quinoline-1,7-diamine;tetrahydrochloride

C28H42Cl4N6O2 — CID 155540052

IUPAC1-N,7-N-bis[2-[2-(dimethylamino)ethoxy]ethyl]quinolino[8,7-h]quinoline-1,7-diamine;tetrahydrochloride
SMILESCN(C)CCOCCNc1ccnc2c1ccc1c2ccc2c(NCCOCCN(C)C)ccnc21.Cl.Cl.Cl.Cl
InChIInChI=1S/C28H38N6O2.4ClH/c1-33(2)15-19-35-17-13-29-25-9-11-31-27-21-6-8-24-26(30-14-18-36-20-16-34(3)4)10-12-32-28(24)22(21)5-7-23(25)27;;;;/h5-12H,13-20H2,1-4H3,(H,29,31)(H,30,32);4*1H
InChIKeyHUHBHGBYFRNLLO-UHFFFAOYSA-N
MW636.50 g/mol
LogP5.60
Rot. Bonds14

About 1-N,7-N-bis[2-[2-(dimethylamino)ethoxy]ethyl]quinolino[8,7-h]quinoline-1,7-diamine;tetrahydrochloride

1-N,7-N-bis[2-[2-(dimethylamino)ethoxy]ethyl]quinolino[8,7-h]quinoline-1,7-diamine;tetrahydrochloride (PubChem CID 155540052) has the molecular formula C28H42Cl4N6O2 and a molecular weight of 636.50 g/mol. Its IUPAC name is 1-N,7-N-bis[2-[2-(dimethylamino)ethoxy]ethyl]quinolino[8,7-h]quinoline-1,7-diamine;tetrahydrochloride.

Molecular Properties

Compound Name1-N,7-N-bis[2-[2-(dimethylamino)ethoxy]ethyl]quinolino[8,7-h]quinoline-1,7-diamine;tetrahydrochloride
PubChem CID155540052
Molecular FormulaC28H42Cl4N6O2
Molecular Weight636.50 g/mol
Exact Mass634.21
IUPAC Name1-N,7-N-bis[2-[2-(dimethylamino)ethoxy]ethyl]quinolino[8,7-h]quinoline-1,7-diamine;tetrahydrochloride
SMILESCN(C)CCOCCNc1ccnc2c1ccc1c2ccc2c(NCCOCCN(C)C)ccnc21.Cl.Cl.Cl.Cl
InChIInChI=1S/C28H38N6O2.4ClH/c1-33(2)15-19-35-17-13-29-25-9-11-31-27-21-6-8-24-26(30-14-18-36-20-16-34(3)4)10-12-32-28(24)22(21)5-7-23(25)27;;;;/h5-12H,13-20H2,1-4H3,(H,29,31)(H,30,32);4*1H
InChIKeyHUHBHGBYFRNLLO-UHFFFAOYSA-N
XLogP5.60
TPSA74.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.50
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-N,7-N-bis[2-[2-(dimethylamino)ethoxy]ethyl]quinolino[8,7-h]quinoline-1,7-diamine;tetrahydrochloride with MolForge

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Related Compounds

7-bromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,5-naphthyridin-4-amine
CID 104891853
3-[2-[2-(dimethylamino)ethoxy]ethylamino]cyclobut-3-ene-1,2-dithione
CID 155599564
2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-methylpyridine-3-carbonitrile
CID 104705443
1-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzene-1,2,4-triamine
CID 90053318
N-(6,8-dimethoxyquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 10589528
methyl N,N-bis[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethyl]carbamate
CID 155355426
N-(7-methoxyquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 45483572
2-[2-[2-(dimethylamino)ethoxy]ethylamino]benzonitrile
CID 114127686
4-N,10-N-bis[3-(dimethylamino)propyl]-6-methyl-1,7-phenanthroline-4,10-diamine
CID 13133598
3-[2-[2-(dimethylamino)ethoxy]ethylamino]pyrazine-2-carbothioamide
CID 114127823
1-N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-methoxybenzene-1,2-diamine
CID 114126972
N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 104705424

Frequently Asked Questions

What is the IUPAC name of 1-N,7-N-bis[2-[2-(dimethylamino)ethoxy]ethyl]quinolino[8,7-h]quinoline-1,7-diamine;tetrahydrochloride?
The IUPAC name of 1-N,7-N-bis[2-[2-(dimethylamino)ethoxy]ethyl]quinolino[8,7-h]quinoline-1,7-diamine;tetrahydrochloride (CID 155540052) is 1-N,7-N-bis[2-[2-(dimethylamino)ethoxy]ethyl]quinolino[8,7-h]quinoline-1,7-diamine;tetrahydrochloride.
What is the SMILES notation for 1-N,7-N-bis[2-[2-(dimethylamino)ethoxy]ethyl]quinolino[8,7-h]quinoline-1,7-diamine;tetrahydrochloride?
The canonical SMILES for 1-N,7-N-bis[2-[2-(dimethylamino)ethoxy]ethyl]quinolino[8,7-h]quinoline-1,7-diamine;tetrahydrochloride is CN(C)CCOCCNc1ccnc2c1ccc1c2ccc2c(NCCOCCN(C)C)ccnc21.Cl.Cl.Cl.Cl.
What is the InChIKey of 1-N,7-N-bis[2-[2-(dimethylamino)ethoxy]ethyl]quinolino[8,7-h]quinoline-1,7-diamine;tetrahydrochloride?
The InChIKey is HUHBHGBYFRNLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N6O2.4ClH/c1-33(2)15-19-35-17-13-29-25-9-11-31-27-21-6-8-24-26(30-14-18-36-20-16-34(3)4)10-12-32-28(24)22(21)5-7-23(25)27;;;;/h5-12H,13-20H2,1-4H3,(H,29,31)(H,30,32);4*1H.
What are the key properties of 1-N,7-N-bis[2-[2-(dimethylamino)ethoxy]ethyl]quinolino[8,7-h]quinoline-1,7-diamine;tetrahydrochloride?
1-N,7-N-bis[2-[2-(dimethylamino)ethoxy]ethyl]quinolino[8,7-h]quinoline-1,7-diamine;tetrahydrochloride has a molecular weight of 636.50 g/mol, XLogP of 5.60, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,7-N-bis[2-[2-(dimethylamino)ethoxy]ethyl]quinolino[8,7-h]quinoline-1,7-diamine;tetrahydrochloride is sourced from PubChem (CID 155540052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).