4-(8-hydroxyquinolin-6-yl)-3-methoxy-N-(3-phenylpropyl)benzamide

C26H24N2O3 — CID 176554954

IUPAC4-(8-hydroxyquinolin-6-yl)-3-methoxy-N-(3-phenylpropyl)benzamide
SMILESCOc1cc(C(=O)NCCCc2ccccc2)ccc1-c1cc(O)c2ncccc2c1
InChIInChI=1S/C26H24N2O3/c1-31-24-17-20(26(30)28-14-5-9-18-7-3-2-4-8-18)11-12-22(24)21-15-19-10-6-13-27-25(19)23(29)16-21/h2-4,6-8,10-13,15-17,29H,5,9,14H2,1H3,(H,28,30)
InChIKeyJEMPVNUEXLESQX-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.98
Rot. Bonds7

About 4-(8-hydroxyquinolin-6-yl)-3-methoxy-N-(3-phenylpropyl)benzamide

4-(8-hydroxyquinolin-6-yl)-3-methoxy-N-(3-phenylpropyl)benzamide (PubChem CID 176554954) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-(8-hydroxyquinolin-6-yl)-3-methoxy-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name4-(8-hydroxyquinolin-6-yl)-3-methoxy-N-(3-phenylpropyl)benzamide
PubChem CID176554954
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name4-(8-hydroxyquinolin-6-yl)-3-methoxy-N-(3-phenylpropyl)benzamide
SMILESCOc1cc(C(=O)NCCCc2ccccc2)ccc1-c1cc(O)c2ncccc2c1
InChIInChI=1S/C26H24N2O3/c1-31-24-17-20(26(30)28-14-5-9-18-7-3-2-4-8-18)11-12-22(24)21-15-19-10-6-13-27-25(19)23(29)16-21/h2-4,6-8,10-13,15-17,29H,5,9,14H2,1H3,(H,28,30)
InChIKeyJEMPVNUEXLESQX-UHFFFAOYSA-N
XLogP4.98
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.98
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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Related Compounds

2-[2-(8-hydroxyquinolin-6-yl)-5-(3-phenylpropylcarbamoyl)phenoxy]acetic acid
CID 176554971
3-(8-hydroxyquinolin-6-yl)-4-(2-methylpropoxy)-N-(3-phenylpropyl)benzamide
CID 176554938
3-bromo-N-[3-(dimethylamino)propyl]-4-(8-hydroxyquinolin-6-yl)benzamide
CID 171446114
4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide
CID 23652768
3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide
CID 27647355
3,4-dimethoxy-N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide
CID 7618926
2-N-(2-methoxyphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089048
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide
CID 110169894
methyl 4-(3-phenylpropylcarbamoyl)benzoate
CID 27646995
N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262
3-bromo-4-methoxy-N-(3-pyridin-3-ylpropyl)benzamide
CID 110607078

Frequently Asked Questions

What is the IUPAC name of 4-(8-hydroxyquinolin-6-yl)-3-methoxy-N-(3-phenylpropyl)benzamide?
The IUPAC name of 4-(8-hydroxyquinolin-6-yl)-3-methoxy-N-(3-phenylpropyl)benzamide (CID 176554954) is 4-(8-hydroxyquinolin-6-yl)-3-methoxy-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 4-(8-hydroxyquinolin-6-yl)-3-methoxy-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 4-(8-hydroxyquinolin-6-yl)-3-methoxy-N-(3-phenylpropyl)benzamide is COc1cc(C(=O)NCCCc2ccccc2)ccc1-c1cc(O)c2ncccc2c1.
What is the InChIKey of 4-(8-hydroxyquinolin-6-yl)-3-methoxy-N-(3-phenylpropyl)benzamide?
The InChIKey is JEMPVNUEXLESQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-31-24-17-20(26(30)28-14-5-9-18-7-3-2-4-8-18)11-12-22(24)21-15-19-10-6-13-27-25(19)23(29)16-21/h2-4,6-8,10-13,15-17,29H,5,9,14H2,1H3,(H,28,30).
What are the key properties of 4-(8-hydroxyquinolin-6-yl)-3-methoxy-N-(3-phenylpropyl)benzamide?
4-(8-hydroxyquinolin-6-yl)-3-methoxy-N-(3-phenylpropyl)benzamide has a molecular weight of 412.49 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-hydroxyquinolin-6-yl)-3-methoxy-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 176554954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).