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

C23H23ClFN3O2 — CID 56595414

IUPACN'-[7-(4-fluorophenoxy)quinolin-4-yl]-N-(furan-2-ylmethyl)propane-1,3-diamine;hydrochloride
SMILESCl.Fc1ccc(Oc2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1
InChIInChI=1S/C23H22FN3O2.ClH/c24-17-4-6-18(7-5-17)29-19-8-9-21-22(10-13-27-23(21)15-19)26-12-2-11-25-16-20-3-1-14-28-20;/h1,3-10,13-15,25H,2,11-12,16H2,(H,26,27);1H
InChIKeyIXCZZOYDTRMQCY-UHFFFAOYSA-N
MW427.91 g/mol
LogP5.77
Rot. Bonds9

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

N'-[7-(4-fluorophenoxy)quinolin-4-yl]-N-(furan-2-ylmethyl)propane-1,3-diamine;hydrochloride (PubChem CID 56595414) has the molecular formula C23H23ClFN3O2 and a molecular weight of 427.91 g/mol. Its IUPAC name is N'-[7-(4-fluorophenoxy)quinolin-4-yl]-N-(furan-2-ylmethyl)propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN'-[7-(4-fluorophenoxy)quinolin-4-yl]-N-(furan-2-ylmethyl)propane-1,3-diamine;hydrochloride
PubChem CID56595414
Molecular FormulaC23H23ClFN3O2
Molecular Weight427.91 g/mol
Exact Mass427.15
IUPAC NameN'-[7-(4-fluorophenoxy)quinolin-4-yl]-N-(furan-2-ylmethyl)propane-1,3-diamine;hydrochloride
SMILESCl.Fc1ccc(Oc2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1
InChIInChI=1S/C23H22FN3O2.ClH/c24-17-4-6-18(7-5-17)29-19-8-9-21-22(10-13-27-23(21)15-19)26-12-2-11-25-16-20-3-1-14-28-20;/h1,3-10,13-15,25H,2,11-12,16H2,(H,26,27);1H
InChIKeyIXCZZOYDTRMQCY-UHFFFAOYSA-N
XLogP5.77
TPSA59.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.91
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

N-(furan-2-ylmethyl)-N'-[7-(4-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine;hydrochloride
CID 56595410
N-[(5-fluoro-2-methoxyphenyl)methyl]-N'-(7-phenoxyquinolin-4-yl)propane-1,3-diamine;hydrochloride
CID 56595537
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'-(7-cyclohexylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine
CID 56593806
2-[[3-[[7-(4-fluorophenyl)quinolin-4-yl]amino]propylamino]methyl]-6-methoxyphenol;hydrochloride
CID 56595153
N-(1,3-benzodioxol-4-ylmethyl)-N'-[7-[3-(dimethylamino)phenoxy]quinolin-4-yl]propane-1,3-diamine
CID 56593952
N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine
CID 118717457
2-methoxy-6-[[3-[[7-(4-methoxyphenyl)quinolin-4-yl]amino]propylamino]methyl]phenol;hydrochloride
CID 56594877
7-fluoro-N-(3-propan-2-yloxypropyl)quinolin-4-amine
CID 133381963
N'-(7-chloroquinolin-4-yl)-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 155513408
N-[2-(furan-2-yl)ethyl]quinolin-4-amine
CID 61341916

Frequently Asked Questions

What is the IUPAC name of N'-[7-(4-fluorophenoxy)quinolin-4-yl]-N-(furan-2-ylmethyl)propane-1,3-diamine;hydrochloride?
The IUPAC name of N'-[7-(4-fluorophenoxy)quinolin-4-yl]-N-(furan-2-ylmethyl)propane-1,3-diamine;hydrochloride (CID 56595414) is N'-[7-(4-fluorophenoxy)quinolin-4-yl]-N-(furan-2-ylmethyl)propane-1,3-diamine;hydrochloride.
What is the SMILES notation for N'-[7-(4-fluorophenoxy)quinolin-4-yl]-N-(furan-2-ylmethyl)propane-1,3-diamine;hydrochloride?
The canonical SMILES for N'-[7-(4-fluorophenoxy)quinolin-4-yl]-N-(furan-2-ylmethyl)propane-1,3-diamine;hydrochloride is Cl.Fc1ccc(Oc2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1.
What is the InChIKey of N'-[7-(4-fluorophenoxy)quinolin-4-yl]-N-(furan-2-ylmethyl)propane-1,3-diamine;hydrochloride?
The InChIKey is IXCZZOYDTRMQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2.ClH/c24-17-4-6-18(7-5-17)29-19-8-9-21-22(10-13-27-23(21)15-19)26-12-2-11-25-16-20-3-1-14-28-20;/h1,3-10,13-15,25H,2,11-12,16H2,(H,26,27);1H.
What are the key properties of N'-[7-(4-fluorophenoxy)quinolin-4-yl]-N-(furan-2-ylmethyl)propane-1,3-diamine;hydrochloride?
N'-[7-(4-fluorophenoxy)quinolin-4-yl]-N-(furan-2-ylmethyl)propane-1,3-diamine;hydrochloride has a molecular weight of 427.91 g/mol, XLogP of 5.77, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[7-(4-fluorophenoxy)quinolin-4-yl]-N-(furan-2-ylmethyl)propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 56595414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).