N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine

C29H34N4 — CID 11743869

IUPACN-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine
SMILESc1ccc2c(NCCCCCCCNc3c4c(nc5ccccc35)CCCC4)ccnc2c1
InChIInChI=1S/C29H34N4/c1(2-10-19-30-26-18-21-31-25-15-7-4-12-22(25)26)3-11-20-32-29-23-13-5-8-16-27(23)33-28-17-9-6-14-24(28)29/h4-5,7-8,12-13,15-16,18,21H,1-3,6,9-11,14,17,19-20H2,(H,30,31)(H,32,33)
InChIKeyCRJKPYBOKIRWEV-UHFFFAOYSA-N
MW438.62 g/mol
LogP7.14
Rot. Bonds10

About N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine

N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine (PubChem CID 11743869) has the molecular formula C29H34N4 and a molecular weight of 438.62 g/mol. Its IUPAC name is N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine.

Molecular Properties

Compound NameN-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine
PubChem CID11743869
Molecular FormulaC29H34N4
Molecular Weight438.62 g/mol
Exact Mass438.28
IUPAC NameN-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine
SMILESc1ccc2c(NCCCCCCCNc3c4c(nc5ccccc35)CCCC4)ccnc2c1
InChIInChI=1S/C29H34N4/c1(2-10-19-30-26-18-21-31-25-15-7-4-12-22(25)26)3-11-20-32-29-23-13-5-8-16-27(23)33-28-17-9-6-14-24(28)29/h4-5,7-8,12-13,15-16,18,21H,1-3,6,9-11,14,17,19-20H2,(H,30,31)(H,32,33)
InChIKeyCRJKPYBOKIRWEV-UHFFFAOYSA-N
XLogP7.14
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.62
LogP ≤ 57.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine?
The IUPAC name of N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine (CID 11743869) is N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine.
What is the SMILES notation for N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine?
The canonical SMILES for N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine is c1ccc2c(NCCCCCCCNc3c4c(nc5ccccc35)CCCC4)ccnc2c1.
What is the InChIKey of N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine?
The InChIKey is CRJKPYBOKIRWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4/c1(2-10-19-30-26-18-21-31-25-15-7-4-12-22(25)26)3-11-20-32-29-23-13-5-8-16-27(23)33-28-17-9-6-14-24(28)29/h4-5,7-8,12-13,15-16,18,21H,1-3,6,9-11,14,17,19-20H2,(H,30,31)(H,32,33).
What are the key properties of N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine?
N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine has a molecular weight of 438.62 g/mol, XLogP of 7.14, 10 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)heptane-1,7-diamine is sourced from PubChem (CID 11743869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).