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

C25H27N3O — CID 56594074

IUPACN-(furan-2-ylmethyl)-N'-[7-(2-phenylethyl)quinolin-4-yl]propane-1,3-diamine
SMILESc1ccc(CCc2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1
InChIInChI=1S/C25H27N3O/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)
InChIKeyIHADZPHTLCPTBT-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.20
Rot. Bonds10

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

N-(furan-2-ylmethyl)-N'-[7-(2-phenylethyl)quinolin-4-yl]propane-1,3-diamine (PubChem CID 56594074) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-[7-(2-phenylethyl)quinolin-4-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-[7-(2-phenylethyl)quinolin-4-yl]propane-1,3-diamine
PubChem CID56594074
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC NameN-(furan-2-ylmethyl)-N'-[7-(2-phenylethyl)quinolin-4-yl]propane-1,3-diamine
SMILESc1ccc(CCc2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1
InChIInChI=1S/C25H27N3O/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)
InChIKeyIHADZPHTLCPTBT-UHFFFAOYSA-N
XLogP5.20
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.20
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 with MolForge

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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
CID 2910633
CID 2910633
N-(2-furylmethyl)-N'-[7-(2-methoxyphenoxy)-4-quinolyl]propane-1,3-diamine
CID 56595010
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
1,2-Ethanediamine, N'-(2-(2-furanyl)-4-quinolinyl)-N,N-dimethyl-
CID 453072
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

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-[7-(2-phenylethyl)quinolin-4-yl]propane-1,3-diamine?
The IUPAC name of N-(furan-2-ylmethyl)-N'-[7-(2-phenylethyl)quinolin-4-yl]propane-1,3-diamine (CID 56594074) is N-(furan-2-ylmethyl)-N'-[7-(2-phenylethyl)quinolin-4-yl]propane-1,3-diamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-[7-(2-phenylethyl)quinolin-4-yl]propane-1,3-diamine?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-[7-(2-phenylethyl)quinolin-4-yl]propane-1,3-diamine is 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?
The InChIKey is IHADZPHTLCPTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/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).
What are the key properties of N-(furan-2-ylmethyl)-N'-[7-(2-phenylethyl)quinolin-4-yl]propane-1,3-diamine?
N-(furan-2-ylmethyl)-N'-[7-(2-phenylethyl)quinolin-4-yl]propane-1,3-diamine has a molecular weight of 385.51 g/mol, XLogP of 5.20, 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 is sourced from PubChem (CID 56594074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).