5-chloro-7-[[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decylamino]methyl]quinolin-8-ol;trihydrochloride

C33H44Cl4N4O — CID 90664422

IUPAC5-chloro-7-[[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decylamino]methyl]quinolin-8-ol;trihydrochloride
SMILESCl.Cl.Cl.Oc1c(CNCCCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc(Cl)c2cccnc12
InChIInChI=1S/C33H41ClN4O.3ClH/c34-28-22-24(33(39)32-25(28)16-13-21-37-32)23-35-19-11-5-3-1-2-4-6-12-20-36-31-26-14-7-9-17-29(26)38-30-18-10-8-15-27(30)31;;;/h7,9,13-14,16-17,21-22,35,39H,1-6,8,10-12,15,18-20,23H2,(H,36,38);3*1H
InChIKeyGOCVZSQVUAAEEV-UHFFFAOYSA-N
MW654.55 g/mol
LogP9.61
Rot. Bonds14

About 5-chloro-7-[[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decylamino]methyl]quinolin-8-ol;trihydrochloride

5-chloro-7-[[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decylamino]methyl]quinolin-8-ol;trihydrochloride (PubChem CID 90664422) has the molecular formula C33H44Cl4N4O and a molecular weight of 654.55 g/mol. Its IUPAC name is 5-chloro-7-[[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decylamino]methyl]quinolin-8-ol;trihydrochloride.

Molecular Properties

Compound Name5-chloro-7-[[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decylamino]methyl]quinolin-8-ol;trihydrochloride
PubChem CID90664422
Molecular FormulaC33H44Cl4N4O
Molecular Weight654.55 g/mol
Exact Mass652.23
IUPAC Name5-chloro-7-[[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decylamino]methyl]quinolin-8-ol;trihydrochloride
SMILESCl.Cl.Cl.Oc1c(CNCCCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc(Cl)c2cccnc12
InChIInChI=1S/C33H41ClN4O.3ClH/c34-28-22-24(33(39)32-25(28)16-13-21-37-32)23-35-19-11-5-3-1-2-4-6-12-20-36-31-26-14-7-9-17-29(26)38-30-18-10-8-15-27(30)31;;;/h7,9,13-14,16-17,21-22,35,39H,1-6,8,10-12,15,18-20,23H2,(H,36,38);3*1H
InChIKeyGOCVZSQVUAAEEV-UHFFFAOYSA-N
XLogP9.61
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.55
LogP ≤ 59.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-chloro-7-[[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decylamino]methyl]quinolin-8-ol;trihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decylamino]methyl]quinolin-8-ol;trihydrochloride?
The IUPAC name of 5-chloro-7-[[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decylamino]methyl]quinolin-8-ol;trihydrochloride (CID 90664422) is 5-chloro-7-[[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decylamino]methyl]quinolin-8-ol;trihydrochloride.
What is the SMILES notation for 5-chloro-7-[[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decylamino]methyl]quinolin-8-ol;trihydrochloride?
The canonical SMILES for 5-chloro-7-[[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decylamino]methyl]quinolin-8-ol;trihydrochloride is Cl.Cl.Cl.Oc1c(CNCCCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-7-[[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decylamino]methyl]quinolin-8-ol;trihydrochloride?
The InChIKey is GOCVZSQVUAAEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41ClN4O.3ClH/c34-28-22-24(33(39)32-25(28)16-13-21-37-32)23-35-19-11-5-3-1-2-4-6-12-20-36-31-26-14-7-9-17-29(26)38-30-18-10-8-15-27(30)31;;;/h7,9,13-14,16-17,21-22,35,39H,1-6,8,10-12,15,18-20,23H2,(H,36,38);3*1H.
What are the key properties of 5-chloro-7-[[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decylamino]methyl]quinolin-8-ol;trihydrochloride?
5-chloro-7-[[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decylamino]methyl]quinolin-8-ol;trihydrochloride has a molecular weight of 654.55 g/mol, XLogP of 9.61, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decylamino]methyl]quinolin-8-ol;trihydrochloride is sourced from PubChem (CID 90664422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).