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

C29H35ClN4 — CID 45262034

IUPACN-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride
SMILESCl.c1ccc2c(NCCCCCCCNc3c4c(nc5ccccc35)CCCC4)ccnc2c1
InChIInChI=1S/C29H34N4.ClH/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);1H
InChIKeyJYXZEERFVKMSBS-UHFFFAOYSA-N
MW475.08 g/mol
LogP7.56
Rot. Bonds10

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

N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride (PubChem CID 45262034) has the molecular formula C29H35ClN4 and a molecular weight of 475.08 g/mol. Its IUPAC name is N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride.

Molecular Properties

Compound NameN-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride
PubChem CID45262034
Molecular FormulaC29H35ClN4
Molecular Weight475.08 g/mol
Exact Mass474.26
IUPAC NameN-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride
SMILESCl.c1ccc2c(NCCCCCCCNc3c4c(nc5ccccc35)CCCC4)ccnc2c1
InChIInChI=1S/C29H34N4.ClH/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);1H
InChIKeyJYXZEERFVKMSBS-UHFFFAOYSA-N
XLogP7.56
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.08
LogP ≤ 57.56
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;hydrochloride?
The IUPAC name of N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride (CID 45262034) is N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride.
What is the SMILES notation for N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride?
The canonical SMILES for N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride is Cl.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;hydrochloride?
The InChIKey is JYXZEERFVKMSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4.ClH/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);1H.
What are the key properties of N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride?
N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride has a molecular weight of 475.08 g/mol, XLogP of 7.56, 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;hydrochloride is sourced from PubChem (CID 45262034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).