5-hexoxy-1-N,3-N-bis[(8-hydroxyquinolin-2-yl)methyl]benzene-1,3-dicarboxamide

C34H34N4O5 — CID 132820489

IUPAC5-hexoxy-1-N,3-N-bis[(8-hydroxyquinolin-2-yl)methyl]benzene-1,3-dicarboxamide
SMILESCCCCCCOc1cc(C(=O)NCc2ccc3cccc(O)c3n2)cc(C(=O)NCc2ccc3cccc(O)c3n2)c1
InChIInChI=1S/C34H34N4O5/c1-2-3-4-5-16-43-28-18-24(33(41)35-20-26-14-12-22-8-6-10-29(39)31(22)37-26)17-25(19-28)34(42)36-21-27-15-13-23-9-7-11-30(40)32(23)38-27/h6-15,17-19,39-40H,2-5,16,20-21H2,1H3,(H,35,41)(H,36,42)
InChIKeyOLHUZEZOZATIJR-UHFFFAOYSA-N
MW578.67 g/mol
LogP6.01
Rot. Bonds12

About 5-hexoxy-1-N,3-N-bis[(8-hydroxyquinolin-2-yl)methyl]benzene-1,3-dicarboxamide

5-hexoxy-1-N,3-N-bis[(8-hydroxyquinolin-2-yl)methyl]benzene-1,3-dicarboxamide (PubChem CID 132820489) has the molecular formula C34H34N4O5 and a molecular weight of 578.67 g/mol. Its IUPAC name is 5-hexoxy-1-N,3-N-bis[(8-hydroxyquinolin-2-yl)methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-hexoxy-1-N,3-N-bis[(8-hydroxyquinolin-2-yl)methyl]benzene-1,3-dicarboxamide
PubChem CID132820489
Molecular FormulaC34H34N4O5
Molecular Weight578.67 g/mol
Exact Mass578.25
IUPAC Name5-hexoxy-1-N,3-N-bis[(8-hydroxyquinolin-2-yl)methyl]benzene-1,3-dicarboxamide
SMILESCCCCCCOc1cc(C(=O)NCc2ccc3cccc(O)c3n2)cc(C(=O)NCc2ccc3cccc(O)c3n2)c1
InChIInChI=1S/C34H34N4O5/c1-2-3-4-5-16-43-28-18-24(33(41)35-20-26-14-12-22-8-6-10-29(39)31(22)37-26)17-25(19-28)34(42)36-21-27-15-13-23-9-7-11-30(40)32(23)38-27/h6-15,17-19,39-40H,2-5,16,20-21H2,1H3,(H,35,41)(H,36,42)
InChIKeyOLHUZEZOZATIJR-UHFFFAOYSA-N
XLogP6.01
TPSA133.67 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.67
LogP ≤ 56.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-hexoxybenzohydrazide
CID 54793158
3-heptoxybenzohydrazide
CID 54793165
8-hydroxy-N-octadecylquinoline-2-carboxamide
CID 101042875
3-pentoxybenzohydrazide
CID 54793157
5-hexoxy-1-N,3-N-bis[(2S)-3-hydroxy-1-oxo-1-(pyren-1-ylmethylamino)propan-2-yl]benzene-1,3-dicarboxamide
CID 132837505
methyl 4-[(8-hydroxyquinolin-2-yl)methoxy]benzoate
CID 139816783
1,2-bis(3-hexoxyphenyl)ethane-1,2-dione
CID 71777687
5-nonoxybenzene-1,3-dicarboxylic acid
CID 101082617
3,5-di(tetradecoxy)-N-(3-triethoxysilylpropyl)benzamide
CID 101491478
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-hexoxybenzamide
CID 108760512
1-N,3-N-bis[4-amino-1,4-dioxo-1-(pyren-1-ylmethylamino)butan-2-yl]-5-hexoxybenzene-1,3-dicarboxamide
CID 132507544
3-methoxy-N-(quinolin-2-ylmethyl)benzamide
CID 110734068

Frequently Asked Questions

What is the IUPAC name of 5-hexoxy-1-N,3-N-bis[(8-hydroxyquinolin-2-yl)methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 5-hexoxy-1-N,3-N-bis[(8-hydroxyquinolin-2-yl)methyl]benzene-1,3-dicarboxamide (CID 132820489) is 5-hexoxy-1-N,3-N-bis[(8-hydroxyquinolin-2-yl)methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-hexoxy-1-N,3-N-bis[(8-hydroxyquinolin-2-yl)methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 5-hexoxy-1-N,3-N-bis[(8-hydroxyquinolin-2-yl)methyl]benzene-1,3-dicarboxamide is CCCCCCOc1cc(C(=O)NCc2ccc3cccc(O)c3n2)cc(C(=O)NCc2ccc3cccc(O)c3n2)c1.
What is the InChIKey of 5-hexoxy-1-N,3-N-bis[(8-hydroxyquinolin-2-yl)methyl]benzene-1,3-dicarboxamide?
The InChIKey is OLHUZEZOZATIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O5/c1-2-3-4-5-16-43-28-18-24(33(41)35-20-26-14-12-22-8-6-10-29(39)31(22)37-26)17-25(19-28)34(42)36-21-27-15-13-23-9-7-11-30(40)32(23)38-27/h6-15,17-19,39-40H,2-5,16,20-21H2,1H3,(H,35,41)(H,36,42).
What are the key properties of 5-hexoxy-1-N,3-N-bis[(8-hydroxyquinolin-2-yl)methyl]benzene-1,3-dicarboxamide?
5-hexoxy-1-N,3-N-bis[(8-hydroxyquinolin-2-yl)methyl]benzene-1,3-dicarboxamide has a molecular weight of 578.67 g/mol, XLogP of 6.01, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexoxy-1-N,3-N-bis[(8-hydroxyquinolin-2-yl)methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 132820489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).