N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine

C31H38N4 — CID 10552178

IUPACN-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine
SMILESc1ccc2c(NCCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)ccnc2c1
InChIInChI=1S/C31H38N4/c1(2-4-12-21-32-28-20-23-33-27-17-9-6-14-24(27)28)3-5-13-22-34-31-25-15-7-10-18-29(25)35-30-19-11-8-16-26(30)31/h6-7,9-10,14-15,17-18,20,23H,1-5,8,11-13,16,19,21-22H2,(H,32,33)(H,34,35)
InChIKeyNPGXFJUCABRJKY-UHFFFAOYSA-N
MW466.67 g/mol
LogP7.92
Rot. Bonds12

About N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine

N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine (PubChem CID 10552178) has the molecular formula C31H38N4 and a molecular weight of 466.67 g/mol. Its IUPAC name is N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine.

Molecular Properties

Compound NameN-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine
PubChem CID10552178
Molecular FormulaC31H38N4
Molecular Weight466.67 g/mol
Exact Mass466.31
IUPAC NameN-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine
SMILESc1ccc2c(NCCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)ccnc2c1
InChIInChI=1S/C31H38N4/c1(2-4-12-21-32-28-20-23-33-27-17-9-6-14-24(27)28)3-5-13-22-34-31-25-15-7-10-18-29(25)35-30-19-11-8-16-26(30)31/h6-7,9-10,14-15,17-18,20,23H,1-5,8,11-13,16,19,21-22H2,(H,32,33)(H,34,35)
InChIKeyNPGXFJUCABRJKY-UHFFFAOYSA-N
XLogP7.92
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.67
LogP ≤ 57.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine?
The IUPAC name of N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine (CID 10552178) is N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine.
What is the SMILES notation for N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine?
The canonical SMILES for N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine is c1ccc2c(NCCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)ccnc2c1.
What is the InChIKey of N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine?
The InChIKey is NPGXFJUCABRJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N4/c1(2-4-12-21-32-28-20-23-33-27-17-9-6-14-24(27)28)3-5-13-22-34-31-25-15-7-10-18-29(25)35-30-19-11-8-16-26(30)31/h6-7,9-10,14-15,17-18,20,23H,1-5,8,11-13,16,19,21-22H2,(H,32,33)(H,34,35).
What are the key properties of N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine?
N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine has a molecular weight of 466.67 g/mol, XLogP of 7.92, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine is sourced from PubChem (CID 10552178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).