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

C23H23N3O — CID 56594359

IUPACN-(furan-2-ylmethyl)-N'-(7-phenylquinolin-4-yl)propane-1,3-diamine
SMILESc1ccc(-c2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1
InChIInChI=1S/C23H23N3O/c1-2-6-18(7-3-1)19-9-10-21-22(11-14-26-23(21)16-19)25-13-5-12-24-17-20-8-4-15-27-20/h1-4,6-11,14-16,24H,5,12-13,17H2,(H,25,26)
InChIKeyPVWPFXBVCOPOGF-UHFFFAOYSA-N
MW357.46 g/mol
LogP5.09
Rot. Bonds8

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

N-(furan-2-ylmethyl)-N'-(7-phenylquinolin-4-yl)propane-1,3-diamine (PubChem CID 56594359) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-(7-phenylquinolin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-(7-phenylquinolin-4-yl)propane-1,3-diamine
PubChem CID56594359
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC NameN-(furan-2-ylmethyl)-N'-(7-phenylquinolin-4-yl)propane-1,3-diamine
SMILESc1ccc(-c2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1
InChIInChI=1S/C23H23N3O/c1-2-6-18(7-3-1)19-9-10-21-22(11-14-26-23(21)16-19)25-13-5-12-24-17-20-8-4-15-27-20/h1-4,6-11,14-16,24H,5,12-13,17H2,(H,25,26)
InChIKeyPVWPFXBVCOPOGF-UHFFFAOYSA-N
XLogP5.09
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 55.09
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-phenylquinolin-4-yl)propane-1,3-diamine?
The IUPAC name of N-(furan-2-ylmethyl)-N'-(7-phenylquinolin-4-yl)propane-1,3-diamine (CID 56594359) is N-(furan-2-ylmethyl)-N'-(7-phenylquinolin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-(7-phenylquinolin-4-yl)propane-1,3-diamine?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-(7-phenylquinolin-4-yl)propane-1,3-diamine is c1ccc(-c2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-(7-phenylquinolin-4-yl)propane-1,3-diamine?
The InChIKey is PVWPFXBVCOPOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-2-6-18(7-3-1)19-9-10-21-22(11-14-26-23(21)16-19)25-13-5-12-24-17-20-8-4-15-27-20/h1-4,6-11,14-16,24H,5,12-13,17H2,(H,25,26).
What are the key properties of N-(furan-2-ylmethyl)-N'-(7-phenylquinolin-4-yl)propane-1,3-diamine?
N-(furan-2-ylmethyl)-N'-(7-phenylquinolin-4-yl)propane-1,3-diamine has a molecular weight of 357.46 g/mol, XLogP of 5.09, 8 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-phenylquinolin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 56594359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).