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

C25H28ClN3O — CID 56594073

IUPACN-(furan-2-ylmethyl)-N'-[7-(2-phenylethyl)quinolin-4-yl]propane-1,3-diamine;hydrochloride
SMILESCl.c1ccc(CCc2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1
InChIInChI=1S/C25H27N3O.ClH/c1-2-6-20(7-3-1)9-10-21-11-12-23-24(13-16-28-25(23)18-21)27-15-5-14-26-19-22-8-4-17-29-22;/h1-4,6-8,11-13,16-18,26H,5,9-10,14-15,19H2,(H,27,28);1H
InChIKeyCHQMTISEYMUDSB-UHFFFAOYSA-N
MW421.97 g/mol
LogP5.63
Rot. Bonds10

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

N-(furan-2-ylmethyl)-N'-[7-(2-phenylethyl)quinolin-4-yl]propane-1,3-diamine;hydrochloride (PubChem CID 56594073) has the molecular formula C25H28ClN3O and a molecular weight of 421.97 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-[7-(2-phenylethyl)quinolin-4-yl]propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-[7-(2-phenylethyl)quinolin-4-yl]propane-1,3-diamine;hydrochloride
PubChem CID56594073
Molecular FormulaC25H28ClN3O
Molecular Weight421.97 g/mol
Exact Mass421.19
IUPAC NameN-(furan-2-ylmethyl)-N'-[7-(2-phenylethyl)quinolin-4-yl]propane-1,3-diamine;hydrochloride
SMILESCl.c1ccc(CCc2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1
InChIInChI=1S/C25H27N3O.ClH/c1-2-6-20(7-3-1)9-10-21-11-12-23-24(13-16-28-25(23)18-21)27-15-5-14-26-19-22-8-4-17-29-22;/h1-4,6-8,11-13,16-18,26H,5,9-10,14-15,19H2,(H,27,28);1H
InChIKeyCHQMTISEYMUDSB-UHFFFAOYSA-N
XLogP5.63
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.97
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

N-(furan-2-ylmethyl)-N'-(7-naphthalen-1-ylquinolin-4-yl)propane-1,3-diamine;hydrochloride
CID 56595287
N'-[7-(4-fluorophenoxy)quinolin-4-yl]-N-(furan-2-ylmethyl)propane-1,3-diamine;hydrochloride
CID 56595414
N-(furan-2-ylmethyl)-N'-[7-(4-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine;hydrochloride
CID 56595410
N'-(7-cyclohexylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine
CID 56593806
N-[2-(furan-2-yl)ethyl]quinolin-4-amine
CID 61341916
N'-(7-chloroquinolin-4-yl)-N-(quinolin-4-ylmethyl)propane-1,3-diamine
CID 102583966
N-[[3-[(benzylamino)methyl]phenyl]methyl]-7-ethylquinolin-4-amine
CID 70920378
N'-(7-chloroquinolin-4-yl)-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 155513408
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
N-(furan-2-ylmethyl)-2-naphthalen-2-ylethanamine
CID 54884386
N-(7-chloroquinolin-4-yl)-N'-(furan-2-ylmethyl)-N'-propylbutane-1,4-diamine
CID 11846959
N-[(5-fluoro-2-methoxyphenyl)methyl]-N'-(7-phenoxyquinolin-4-yl)propane-1,3-diamine;hydrochloride
CID 56595537

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-[7-(2-phenylethyl)quinolin-4-yl]propane-1,3-diamine;hydrochloride?
The IUPAC name of N-(furan-2-ylmethyl)-N'-[7-(2-phenylethyl)quinolin-4-yl]propane-1,3-diamine;hydrochloride (CID 56594073) is N-(furan-2-ylmethyl)-N'-[7-(2-phenylethyl)quinolin-4-yl]propane-1,3-diamine;hydrochloride.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-[7-(2-phenylethyl)quinolin-4-yl]propane-1,3-diamine;hydrochloride?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-[7-(2-phenylethyl)quinolin-4-yl]propane-1,3-diamine;hydrochloride is Cl.c1ccc(CCc2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-[7-(2-phenylethyl)quinolin-4-yl]propane-1,3-diamine;hydrochloride?
The InChIKey is CHQMTISEYMUDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O.ClH/c1-2-6-20(7-3-1)9-10-21-11-12-23-24(13-16-28-25(23)18-21)27-15-5-14-26-19-22-8-4-17-29-22;/h1-4,6-8,11-13,16-18,26H,5,9-10,14-15,19H2,(H,27,28);1H.
What are the key properties of N-(furan-2-ylmethyl)-N'-[7-(2-phenylethyl)quinolin-4-yl]propane-1,3-diamine;hydrochloride?
N-(furan-2-ylmethyl)-N'-[7-(2-phenylethyl)quinolin-4-yl]propane-1,3-diamine;hydrochloride has a molecular weight of 421.97 g/mol, XLogP of 5.63, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N'-[7-(2-phenylethyl)quinolin-4-yl]propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 56594073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).