N',N'-diethyl-N-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-yl]propane-1,3-diamine

C22H26N4O3 — CID 24843304

IUPACN',N'-diethyl-N-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-yl]propane-1,3-diamine
SMILESCCN(CC)CCCNc1cccc2ccc(/C=C\c3ccc([N+](=O)[O-])o3)nc12
InChIInChI=1S/C22H26N4O3/c1-3-25(4-2)16-6-15-23-20-8-5-7-17-9-10-18(24-22(17)20)11-12-19-13-14-21(29-19)26(27)28/h5,7-14,23H,3-4,6,15-16H2,1-2H3/b12-11-
InChIKeyVUEYLFLHZUSGFW-QXMHVHEDSA-N
MW394.48 g/mol
LogP5.05
Rot. Bonds10

About N',N'-diethyl-N-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-yl]propane-1,3-diamine

N',N'-diethyl-N-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-yl]propane-1,3-diamine (PubChem CID 24843304) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N',N'-diethyl-N-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-yl]propane-1,3-diamine
PubChem CID24843304
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN',N'-diethyl-N-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-yl]propane-1,3-diamine
SMILESCCN(CC)CCCNc1cccc2ccc(/C=C\c3ccc([N+](=O)[O-])o3)nc12
InChIInChI=1S/C22H26N4O3/c1-3-25(4-2)16-6-15-23-20-8-5-7-17-9-10-18(24-22(17)20)11-12-19-13-14-21(29-19)26(27)28/h5,7-14,23H,3-4,6,15-16H2,1-2H3/b12-11-
InChIKeyVUEYLFLHZUSGFW-QXMHVHEDSA-N
XLogP5.05
TPSA84.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-yl]propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-yl]propane-1,3-diamine (CID 24843304) is N',N'-diethyl-N-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-yl]propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-yl]propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-yl]propane-1,3-diamine is CCN(CC)CCCNc1cccc2ccc(/C=C\c3ccc([N+](=O)[O-])o3)nc12.
What is the InChIKey of N',N'-diethyl-N-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-yl]propane-1,3-diamine?
The InChIKey is VUEYLFLHZUSGFW-QXMHVHEDSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-3-25(4-2)16-6-15-23-20-8-5-7-17-9-10-18(24-22(17)20)11-12-19-13-14-21(29-19)26(27)28/h5,7-14,23H,3-4,6,15-16H2,1-2H3/b12-11-.
What are the key properties of N',N'-diethyl-N-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-yl]propane-1,3-diamine?
N',N'-diethyl-N-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-yl]propane-1,3-diamine has a molecular weight of 394.48 g/mol, XLogP of 5.05, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-yl]propane-1,3-diamine is sourced from PubChem (CID 24843304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).