1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol;tetrahydrochloride

C29H40Cl4N6O3 — CID 155522896

IUPAC1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.OC(CNc1ccnc2c1ccc1c2ccc2c(NCCN3CCOCC3)ccnc21)CN1CCOCC1
InChIInChI=1S/C29H36N6O3.4ClH/c36-21(20-35-13-17-38-18-14-35)19-33-27-6-8-32-29-23-1-3-24-26(30-9-10-34-11-15-37-16-12-34)5-7-31-28(24)22(23)2-4-25(27)29;;;;/h1-8,21,36H,9-20H2,(H,30,31)(H,32,33);4*1H
InChIKeyKUPLKHKLONZGSN-UHFFFAOYSA-N
MW662.49 g/mol
LogP4.47
Rot. Bonds9

About 1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol;tetrahydrochloride

1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol;tetrahydrochloride (PubChem CID 155522896) has the molecular formula C29H40Cl4N6O3 and a molecular weight of 662.49 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol;tetrahydrochloride.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol;tetrahydrochloride
PubChem CID155522896
Molecular FormulaC29H40Cl4N6O3
Molecular Weight662.49 g/mol
Exact Mass660.19
IUPAC Name1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.OC(CNc1ccnc2c1ccc1c2ccc2c(NCCN3CCOCC3)ccnc21)CN1CCOCC1
InChIInChI=1S/C29H36N6O3.4ClH/c36-21(20-35-13-17-38-18-14-35)19-33-27-6-8-32-29-23-1-3-24-26(30-9-10-34-11-15-37-16-12-34)5-7-31-28(24)22(23)2-4-25(27)29;;;;/h1-8,21,36H,9-20H2,(H,30,31)(H,32,33);4*1H
InChIKeyKUPLKHKLONZGSN-UHFFFAOYSA-N
XLogP4.47
TPSA95.01 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500662.49
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol;tetrahydrochloride?
The IUPAC name of 1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol;tetrahydrochloride (CID 155522896) is 1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol;tetrahydrochloride.
What is the SMILES notation for 1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol;tetrahydrochloride?
The canonical SMILES for 1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol;tetrahydrochloride is Cl.Cl.Cl.Cl.OC(CNc1ccnc2c1ccc1c2ccc2c(NCCN3CCOCC3)ccnc21)CN1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol;tetrahydrochloride?
The InChIKey is KUPLKHKLONZGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O3.4ClH/c36-21(20-35-13-17-38-18-14-35)19-33-27-6-8-32-29-23-1-3-24-26(30-9-10-34-11-15-37-16-12-34)5-7-31-28(24)22(23)2-4-25(27)29;;;;/h1-8,21,36H,9-20H2,(H,30,31)(H,32,33);4*1H.
What are the key properties of 1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol;tetrahydrochloride?
1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol;tetrahydrochloride has a molecular weight of 662.49 g/mol, XLogP of 4.47, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol;tetrahydrochloride is sourced from PubChem (CID 155522896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).