N'-(7-benzylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine

C24H25N3O — CID 56593823

IUPACN'-(7-benzylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine
SMILESc1ccc(Cc2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1
InChIInChI=1S/C24H25N3O/c1-2-6-19(7-3-1)16-20-9-10-22-23(11-14-27-24(22)17-20)26-13-5-12-25-18-21-8-4-15-28-21/h1-4,6-11,14-15,17,25H,5,12-13,16,18H2,(H,26,27)
InChIKeyRVJXPLUAWZIYGH-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.01
Rot. Bonds9

About N'-(7-benzylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine

N'-(7-benzylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine (PubChem CID 56593823) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is N'-(7-benzylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(7-benzylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine
PubChem CID56593823
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC NameN'-(7-benzylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine
SMILESc1ccc(Cc2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1
InChIInChI=1S/C24H25N3O/c1-2-6-19(7-3-1)16-20-9-10-22-23(11-14-27-24(22)17-20)26-13-5-12-25-18-21-8-4-15-28-21/h1-4,6-11,14-15,17,25H,5,12-13,16,18H2,(H,26,27)
InChIKeyRVJXPLUAWZIYGH-UHFFFAOYSA-N
XLogP5.01
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.01
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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Related Compounds

N-(1-Benzofuran-2-Ylmethyl)-N'-(1,2,3,4-Tetrahydroacridin-9-Yl)heptane-1,7-Diamine
CID 91864546
N-(2-furylmethyl)-N'-[7-(2-methoxyphenoxy)-4-quinolyl]propane-1,3-diamine
CID 56595010
1,2-Ethanediamine, N'-(2-(2-furanyl)-4-quinolinyl)-N,N-dimethyl-
CID 453072
Ethyl 4-(furan-2-ylmethylamino)quinoline-3-carboxylate
CID 709114
(E)-3-Furan-2-yl-N-quinolin-8-yl-acrylamide
CID 750959
6-fluoro-N-(2-furylmethyl)-2-methyl-4-quinolinecarboxamide
CID 826914
N-(furan-2-ylmethyl)-2-methylquinoline-4-carboxamide
CID 2430333
N-[(5-quinolinylamino)carbonothioyl]-2-furamide
CID 2963793
N-(quinolin-3-yl)furan-2-carboxamide
CID 644708
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 2259442
N-[(E)-7-quinolylmethyleneamino]-2-furamide
CID 9594355

Frequently Asked Questions

What is the IUPAC name of N'-(7-benzylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-(7-benzylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine (CID 56593823) is N'-(7-benzylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(7-benzylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-(7-benzylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine is c1ccc(Cc2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1.
What is the InChIKey of N'-(7-benzylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine?
The InChIKey is RVJXPLUAWZIYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-2-6-19(7-3-1)16-20-9-10-22-23(11-14-27-24(22)17-20)26-13-5-12-25-18-21-8-4-15-28-21/h1-4,6-11,14-15,17,25H,5,12-13,16,18H2,(H,26,27).
What are the key properties of N'-(7-benzylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine?
N'-(7-benzylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine has a molecular weight of 371.48 g/mol, XLogP of 5.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-benzylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 56593823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).