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

C32H42Cl4N4O — CID 90664797

IUPAC5-chloro-7-[[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonylamino]methyl]quinolin-8-ol;trihydrochloride
SMILESCl.Cl.Cl.Oc1c(CNCCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc(Cl)c2cccnc12
InChIInChI=1S/C32H39ClN4O.3ClH/c33-27-21-23(32(38)31-24(27)15-12-20-36-31)22-34-18-10-4-2-1-3-5-11-19-35-30-25-13-6-8-16-28(25)37-29-17-9-7-14-26(29)30;;;/h6,8,12-13,15-16,20-21,34,38H,1-5,7,9-11,14,17-19,22H2,(H,35,37);3*1H
InChIKeyQVMKCUOLDRDGBM-UHFFFAOYSA-N
MW640.53 g/mol
LogP9.22
Rot. Bonds13

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

5-chloro-7-[[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonylamino]methyl]quinolin-8-ol;trihydrochloride (PubChem CID 90664797) has the molecular formula C32H42Cl4N4O and a molecular weight of 640.53 g/mol. Its IUPAC name is 5-chloro-7-[[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonylamino]methyl]quinolin-8-ol;trihydrochloride.

Molecular Properties

Compound Name5-chloro-7-[[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonylamino]methyl]quinolin-8-ol;trihydrochloride
PubChem CID90664797
Molecular FormulaC32H42Cl4N4O
Molecular Weight640.53 g/mol
Exact Mass638.21
IUPAC Name5-chloro-7-[[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonylamino]methyl]quinolin-8-ol;trihydrochloride
SMILESCl.Cl.Cl.Oc1c(CNCCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc(Cl)c2cccnc12
InChIInChI=1S/C32H39ClN4O.3ClH/c33-27-21-23(32(38)31-24(27)15-12-20-36-31)22-34-18-10-4-2-1-3-5-11-19-35-30-25-13-6-8-16-28(25)37-29-17-9-7-14-26(29)30;;;/h6,8,12-13,15-16,20-21,34,38H,1-5,7,9-11,14,17-19,22H2,(H,35,37);3*1H
InChIKeyQVMKCUOLDRDGBM-UHFFFAOYSA-N
XLogP9.22
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.53
LogP ≤ 59.22
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-[[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonylamino]methyl]quinolin-8-ol;trihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonylamino]methyl]quinolin-8-ol;trihydrochloride?
The IUPAC name of 5-chloro-7-[[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonylamino]methyl]quinolin-8-ol;trihydrochloride (CID 90664797) is 5-chloro-7-[[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonylamino]methyl]quinolin-8-ol;trihydrochloride.
What is the SMILES notation for 5-chloro-7-[[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonylamino]methyl]quinolin-8-ol;trihydrochloride?
The canonical SMILES for 5-chloro-7-[[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonylamino]methyl]quinolin-8-ol;trihydrochloride is Cl.Cl.Cl.Oc1c(CNCCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-7-[[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonylamino]methyl]quinolin-8-ol;trihydrochloride?
The InChIKey is QVMKCUOLDRDGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39ClN4O.3ClH/c33-27-21-23(32(38)31-24(27)15-12-20-36-31)22-34-18-10-4-2-1-3-5-11-19-35-30-25-13-6-8-16-28(25)37-29-17-9-7-14-26(29)30;;;/h6,8,12-13,15-16,20-21,34,38H,1-5,7,9-11,14,17-19,22H2,(H,35,37);3*1H.
What are the key properties of 5-chloro-7-[[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonylamino]methyl]quinolin-8-ol;trihydrochloride?
5-chloro-7-[[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonylamino]methyl]quinolin-8-ol;trihydrochloride has a molecular weight of 640.53 g/mol, XLogP of 9.22, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonylamino]methyl]quinolin-8-ol;trihydrochloride is sourced from PubChem (CID 90664797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).