2-[2-(8-hydroxyquinolin-6-yl)-5-(3-phenylpropylcarbamoyl)phenoxy]acetic acid

C27H24N2O5 — CID 176554971

IUPAC2-[2-(8-hydroxyquinolin-6-yl)-5-(3-phenylpropylcarbamoyl)phenoxy]acetic acid
SMILESO=C(O)COc1cc(C(=O)NCCCc2ccccc2)ccc1-c1cc(O)c2ncccc2c1
InChIInChI=1S/C27H24N2O5/c30-23-15-21(14-19-9-5-12-28-26(19)23)22-11-10-20(16-24(22)34-17-25(31)32)27(33)29-13-4-8-18-6-2-1-3-7-18/h1-3,5-7,9-12,14-16,30H,4,8,13,17H2,(H,29,33)(H,31,32)
InChIKeyRHGDBFJZJVCVON-UHFFFAOYSA-N
MW456.50 g/mol
LogP4.43
Rot. Bonds9

About 2-[2-(8-hydroxyquinolin-6-yl)-5-(3-phenylpropylcarbamoyl)phenoxy]acetic acid

2-[2-(8-hydroxyquinolin-6-yl)-5-(3-phenylpropylcarbamoyl)phenoxy]acetic acid (PubChem CID 176554971) has the molecular formula C27H24N2O5 and a molecular weight of 456.50 g/mol. Its IUPAC name is 2-[2-(8-hydroxyquinolin-6-yl)-5-(3-phenylpropylcarbamoyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(8-hydroxyquinolin-6-yl)-5-(3-phenylpropylcarbamoyl)phenoxy]acetic acid
PubChem CID176554971
Molecular FormulaC27H24N2O5
Molecular Weight456.50 g/mol
Exact Mass456.17
IUPAC Name2-[2-(8-hydroxyquinolin-6-yl)-5-(3-phenylpropylcarbamoyl)phenoxy]acetic acid
SMILESO=C(O)COc1cc(C(=O)NCCCc2ccccc2)ccc1-c1cc(O)c2ncccc2c1
InChIInChI=1S/C27H24N2O5/c30-23-15-21(14-19-9-5-12-28-26(19)23)22-11-10-20(16-24(22)34-17-25(31)32)27(33)29-13-4-8-18-6-2-1-3-7-18/h1-3,5-7,9-12,14-16,30H,4,8,13,17H2,(H,29,33)(H,31,32)
InChIKeyRHGDBFJZJVCVON-UHFFFAOYSA-N
XLogP4.43
TPSA108.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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
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
N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262
8-hydroxy-N-(4-phenylbutyl)quinoline-7-carboxamide;methane
CID 157185579
N-(3-phenylpropyl)-8-sulfanylquinoline-3-carboxamide
CID 160735019
N-[3-(dimethylamino)propyl]-2,6-difluoro-4-(8-hydroxyquinolin-6-yl)benzamide
CID 171446140
N-(3-phenylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165110
2-(diethylamino)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109174754
N-[3-(dimethylamino)propyl]-5-(8-hydroxyquinolin-6-yl)thiophene-2-carboxamide
CID 171446127
2-benzamido-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 67153857

Frequently Asked Questions

What is the IUPAC name of 2-[2-(8-hydroxyquinolin-6-yl)-5-(3-phenylpropylcarbamoyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-(8-hydroxyquinolin-6-yl)-5-(3-phenylpropylcarbamoyl)phenoxy]acetic acid (CID 176554971) is 2-[2-(8-hydroxyquinolin-6-yl)-5-(3-phenylpropylcarbamoyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(8-hydroxyquinolin-6-yl)-5-(3-phenylpropylcarbamoyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(8-hydroxyquinolin-6-yl)-5-(3-phenylpropylcarbamoyl)phenoxy]acetic acid is O=C(O)COc1cc(C(=O)NCCCc2ccccc2)ccc1-c1cc(O)c2ncccc2c1.
What is the InChIKey of 2-[2-(8-hydroxyquinolin-6-yl)-5-(3-phenylpropylcarbamoyl)phenoxy]acetic acid?
The InChIKey is RHGDBFJZJVCVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O5/c30-23-15-21(14-19-9-5-12-28-26(19)23)22-11-10-20(16-24(22)34-17-25(31)32)27(33)29-13-4-8-18-6-2-1-3-7-18/h1-3,5-7,9-12,14-16,30H,4,8,13,17H2,(H,29,33)(H,31,32).
What are the key properties of 2-[2-(8-hydroxyquinolin-6-yl)-5-(3-phenylpropylcarbamoyl)phenoxy]acetic acid?
2-[2-(8-hydroxyquinolin-6-yl)-5-(3-phenylpropylcarbamoyl)phenoxy]acetic acid has a molecular weight of 456.50 g/mol, XLogP of 4.43, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(8-hydroxyquinolin-6-yl)-5-(3-phenylpropylcarbamoyl)phenoxy]acetic acid is sourced from PubChem (CID 176554971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).