N-(furan-2-ylmethyl)-N'-[7-(4-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine;hydrochloride

C24H26ClN3O3 — CID 56595410

IUPACN-(furan-2-ylmethyl)-N'-[7-(4-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine;hydrochloride
SMILESCOc1ccc(Oc2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1.Cl
InChIInChI=1S/C24H25N3O3.ClH/c1-28-18-5-7-19(8-6-18)30-20-9-10-22-23(11-14-27-24(22)16-20)26-13-3-12-25-17-21-4-2-15-29-21;/h2,4-11,14-16,25H,3,12-13,17H2,1H3,(H,26,27);1H
InChIKeyYKRKJWQHHWYAAM-UHFFFAOYSA-N
MW439.94 g/mol
LogP5.64
Rot. Bonds10

About N-(furan-2-ylmethyl)-N'-[7-(4-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine;hydrochloride

N-(furan-2-ylmethyl)-N'-[7-(4-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine;hydrochloride (PubChem CID 56595410) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-[7-(4-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-[7-(4-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine;hydrochloride
PubChem CID56595410
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC NameN-(furan-2-ylmethyl)-N'-[7-(4-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine;hydrochloride
SMILESCOc1ccc(Oc2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1.Cl
InChIInChI=1S/C24H25N3O3.ClH/c1-28-18-5-7-19(8-6-18)30-20-9-10-22-23(11-14-27-24(22)16-20)26-13-3-12-25-17-21-4-2-15-29-21;/h2,4-11,14-16,25H,3,12-13,17H2,1H3,(H,26,27);1H
InChIKeyYKRKJWQHHWYAAM-UHFFFAOYSA-N
XLogP5.64
TPSA68.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.94
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(furan-2-ylmethyl)-N'-[7-(4-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine;hydrochloride with MolForge

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Related Compounds

N'-[7-(4-fluorophenoxy)quinolin-4-yl]-N-(furan-2-ylmethyl)propane-1,3-diamine;hydrochloride
CID 56595414
N-(furan-2-ylmethyl)-N'-[7-(2-phenylethyl)quinolin-4-yl]propane-1,3-diamine;hydrochloride
CID 56594073
N-(furan-2-ylmethyl)-N'-(7-naphthalen-1-ylquinolin-4-yl)propane-1,3-diamine;hydrochloride
CID 56595287
N-[(5-fluoro-2-methoxyphenyl)methyl]-N'-(7-phenoxyquinolin-4-yl)propane-1,3-diamine;hydrochloride
CID 56595537
N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine
CID 118717457
N'-(7-cyclohexylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine
CID 56593806
2-methoxy-6-[[3-[[7-(4-methoxyphenyl)quinolin-4-yl]amino]propylamino]methyl]phenol;hydrochloride
CID 56594877
N-(1,3-benzodioxol-4-ylmethyl)-N'-(7-phenoxyquinolin-4-yl)propane-1,3-diamine
CID 56595009
6-[(7-methoxyquinolin-4-yl)amino]hexan-1-ol
CID 21424689
5-[(7-methoxyquinolin-4-yl)amino]pentan-1-ol
CID 21424700
N'-(7-chloroquinolin-4-yl)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]propane-1,3-diamine
CID 118728615
2-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]-4-methoxyphenol
CID 46222242

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-[7-(4-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine;hydrochloride?
The IUPAC name of N-(furan-2-ylmethyl)-N'-[7-(4-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine;hydrochloride (CID 56595410) is N-(furan-2-ylmethyl)-N'-[7-(4-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine;hydrochloride.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-[7-(4-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine;hydrochloride?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-[7-(4-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine;hydrochloride is COc1ccc(Oc2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1.Cl.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-[7-(4-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine;hydrochloride?
The InChIKey is YKRKJWQHHWYAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3.ClH/c1-28-18-5-7-19(8-6-18)30-20-9-10-22-23(11-14-27-24(22)16-20)26-13-3-12-25-17-21-4-2-15-29-21;/h2,4-11,14-16,25H,3,12-13,17H2,1H3,(H,26,27);1H.
What are the key properties of N-(furan-2-ylmethyl)-N'-[7-(4-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine;hydrochloride?
N-(furan-2-ylmethyl)-N'-[7-(4-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine;hydrochloride has a molecular weight of 439.94 g/mol, XLogP of 5.64, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N'-[7-(4-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 56595410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).