3-(8-hydroxyquinolin-6-yl)-4-(2-methylpropoxy)-N-(3-phenylpropyl)benzamide

C29H30N2O3 — CID 176554938

IUPAC3-(8-hydroxyquinolin-6-yl)-4-(2-methylpropoxy)-N-(3-phenylpropyl)benzamide
SMILESCC(C)COc1ccc(C(=O)NCCCc2ccccc2)cc1-c1cc(O)c2ncccc2c1
InChIInChI=1S/C29H30N2O3/c1-20(2)19-34-27-13-12-23(29(33)31-15-6-10-21-8-4-3-5-9-21)17-25(27)24-16-22-11-7-14-30-28(22)26(32)18-24/h3-5,7-9,11-14,16-18,20,32H,6,10,15,19H2,1-2H3,(H,31,33)
InChIKeyLHCJQTWGPJLZAF-UHFFFAOYSA-N
MW454.57 g/mol
LogP6.00
Rot. Bonds9

About 3-(8-hydroxyquinolin-6-yl)-4-(2-methylpropoxy)-N-(3-phenylpropyl)benzamide

3-(8-hydroxyquinolin-6-yl)-4-(2-methylpropoxy)-N-(3-phenylpropyl)benzamide (PubChem CID 176554938) has the molecular formula C29H30N2O3 and a molecular weight of 454.57 g/mol. Its IUPAC name is 3-(8-hydroxyquinolin-6-yl)-4-(2-methylpropoxy)-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-(8-hydroxyquinolin-6-yl)-4-(2-methylpropoxy)-N-(3-phenylpropyl)benzamide
PubChem CID176554938
Molecular FormulaC29H30N2O3
Molecular Weight454.57 g/mol
Exact Mass454.23
IUPAC Name3-(8-hydroxyquinolin-6-yl)-4-(2-methylpropoxy)-N-(3-phenylpropyl)benzamide
SMILESCC(C)COc1ccc(C(=O)NCCCc2ccccc2)cc1-c1cc(O)c2ncccc2c1
InChIInChI=1S/C29H30N2O3/c1-20(2)19-34-27-13-12-23(29(33)31-15-6-10-21-8-4-3-5-9-21)17-25(27)24-16-22-11-7-14-30-28(22)26(32)18-24/h3-5,7-9,11-14,16-18,20,32H,6,10,15,19H2,1-2H3,(H,31,33)
InChIKeyLHCJQTWGPJLZAF-UHFFFAOYSA-N
XLogP6.00
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 56.00
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

4-(8-hydroxyquinolin-6-yl)-3-methoxy-N-(3-phenylpropyl)benzamide
CID 176554954
2-[2-(8-hydroxyquinolin-6-yl)-5-(3-phenylpropylcarbamoyl)phenoxy]acetic acid
CID 176554971
3-bromo-N-[3-(dimethylamino)propyl]-4-(8-hydroxyquinolin-6-yl)benzamide
CID 171446114
4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide
CID 23652768
4-N-(2-methylpropyl)-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109079626
N-(3-phenylpropyl)-8-sulfanylquinoline-3-carboxamide
CID 160735019
N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262
N-[3-(dimethylamino)propyl]-2,6-difluoro-4-(8-hydroxyquinolin-6-yl)benzamide
CID 171446140
3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide
CID 27647355
8-hydroxy-N-(4-phenylbutyl)quinoline-7-carboxamide;methane
CID 157185579
2-(diethylamino)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109174754
4-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-N-(3-phenylpropyl)benzamide
CID 20973854

Frequently Asked Questions

What is the IUPAC name of 3-(8-hydroxyquinolin-6-yl)-4-(2-methylpropoxy)-N-(3-phenylpropyl)benzamide?
The IUPAC name of 3-(8-hydroxyquinolin-6-yl)-4-(2-methylpropoxy)-N-(3-phenylpropyl)benzamide (CID 176554938) is 3-(8-hydroxyquinolin-6-yl)-4-(2-methylpropoxy)-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 3-(8-hydroxyquinolin-6-yl)-4-(2-methylpropoxy)-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 3-(8-hydroxyquinolin-6-yl)-4-(2-methylpropoxy)-N-(3-phenylpropyl)benzamide is CC(C)COc1ccc(C(=O)NCCCc2ccccc2)cc1-c1cc(O)c2ncccc2c1.
What is the InChIKey of 3-(8-hydroxyquinolin-6-yl)-4-(2-methylpropoxy)-N-(3-phenylpropyl)benzamide?
The InChIKey is LHCJQTWGPJLZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O3/c1-20(2)19-34-27-13-12-23(29(33)31-15-6-10-21-8-4-3-5-9-21)17-25(27)24-16-22-11-7-14-30-28(22)26(32)18-24/h3-5,7-9,11-14,16-18,20,32H,6,10,15,19H2,1-2H3,(H,31,33).
What are the key properties of 3-(8-hydroxyquinolin-6-yl)-4-(2-methylpropoxy)-N-(3-phenylpropyl)benzamide?
3-(8-hydroxyquinolin-6-yl)-4-(2-methylpropoxy)-N-(3-phenylpropyl)benzamide has a molecular weight of 454.57 g/mol, XLogP of 6.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-hydroxyquinolin-6-yl)-4-(2-methylpropoxy)-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 176554938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).