N-[6-methoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine

C22H24N4O3 — CID 162653909

IUPACN-[6-methoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc2nc(/C=C/c3cccc([N+](=O)[O-])c3)cc(NCCN(C)C)c2c1
InChIInChI=1S/C22H24N4O3/c1-25(2)12-11-23-22-14-17(24-21-10-9-19(29-3)15-20(21)22)8-7-16-5-4-6-18(13-16)26(27)28/h4-10,13-15H,11-12H2,1-3H3,(H,23,24)/b8-7+
InChIKeyBGBPIYSQLYPPAZ-BQYQJAHWSA-N
MW392.46 g/mol
LogP4.30
Rot. Bonds8

About N-[6-methoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine

N-[6-methoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 162653909) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[6-methoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[6-methoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID162653909
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[6-methoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc2nc(/C=C/c3cccc([N+](=O)[O-])c3)cc(NCCN(C)C)c2c1
InChIInChI=1S/C22H24N4O3/c1-25(2)12-11-23-22-14-17(24-21-10-9-19(29-3)15-20(21)22)8-7-16-5-4-6-18(13-16)26(27)28/h4-10,13-15H,11-12H2,1-3H3,(H,23,24)/b8-7+
InChIKeyBGBPIYSQLYPPAZ-BQYQJAHWSA-N
XLogP4.30
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-[6-methoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[6-methoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 162653909) is N-[6-methoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[6-methoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[6-methoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine is COc1ccc2nc(/C=C/c3cccc([N+](=O)[O-])c3)cc(NCCN(C)C)c2c1.
What is the InChIKey of N-[6-methoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is BGBPIYSQLYPPAZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-25(2)12-11-23-22-14-17(24-21-10-9-19(29-3)15-20(21)22)8-7-16-5-4-6-18(13-16)26(27)28/h4-10,13-15H,11-12H2,1-3H3,(H,23,24)/b8-7+.
What are the key properties of N-[6-methoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[6-methoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 392.46 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 162653909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).