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

C22H29N3O — CID 56593652

IUPACN-(furan-2-ylmethyl)-N'-(7-pentan-3-ylquinolin-4-yl)propane-1,3-diamine
SMILESCCC(CC)c1ccc2c(NCCCNCc3ccco3)ccnc2c1
InChIInChI=1S/C22H29N3O/c1-3-17(4-2)18-8-9-20-21(10-13-25-22(20)15-18)24-12-6-11-23-16-19-7-5-14-26-19/h5,7-10,13-15,17,23H,3-4,6,11-12,16H2,1-2H3,(H,24,25)
InChIKeyMRHVIKICGTXLQJ-UHFFFAOYSA-N
MW351.49 g/mol
LogP5.32
Rot. Bonds10

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

N-(furan-2-ylmethyl)-N'-(7-pentan-3-ylquinolin-4-yl)propane-1,3-diamine (PubChem CID 56593652) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-(7-pentan-3-ylquinolin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-(7-pentan-3-ylquinolin-4-yl)propane-1,3-diamine
PubChem CID56593652
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-(furan-2-ylmethyl)-N'-(7-pentan-3-ylquinolin-4-yl)propane-1,3-diamine
SMILESCCC(CC)c1ccc2c(NCCCNCc3ccco3)ccnc2c1
InChIInChI=1S/C22H29N3O/c1-3-17(4-2)18-8-9-20-21(10-13-25-22(20)15-18)24-12-6-11-23-16-19-7-5-14-26-19/h5,7-10,13-15,17,23H,3-4,6,11-12,16H2,1-2H3,(H,24,25)
InChIKeyMRHVIKICGTXLQJ-UHFFFAOYSA-N
XLogP5.32
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.32
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-(furan-2-ylmethyl)-N'-(7-pentan-3-ylquinolin-4-yl)propane-1,3-diamine?
The IUPAC name of N-(furan-2-ylmethyl)-N'-(7-pentan-3-ylquinolin-4-yl)propane-1,3-diamine (CID 56593652) is N-(furan-2-ylmethyl)-N'-(7-pentan-3-ylquinolin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-(7-pentan-3-ylquinolin-4-yl)propane-1,3-diamine?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-(7-pentan-3-ylquinolin-4-yl)propane-1,3-diamine is CCC(CC)c1ccc2c(NCCCNCc3ccco3)ccnc2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-(7-pentan-3-ylquinolin-4-yl)propane-1,3-diamine?
The InChIKey is MRHVIKICGTXLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-3-17(4-2)18-8-9-20-21(10-13-25-22(20)15-18)24-12-6-11-23-16-19-7-5-14-26-19/h5,7-10,13-15,17,23H,3-4,6,11-12,16H2,1-2H3,(H,24,25).
What are the key properties of N-(furan-2-ylmethyl)-N'-(7-pentan-3-ylquinolin-4-yl)propane-1,3-diamine?
N-(furan-2-ylmethyl)-N'-(7-pentan-3-ylquinolin-4-yl)propane-1,3-diamine has a molecular weight of 351.49 g/mol, XLogP of 5.32, 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-pentan-3-ylquinolin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 56593652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).