N-(1-cyclopentylpropan-2-yl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide

C21H28N2O3 — CID 20563579

IUPACN-(1-cyclopentylpropan-2-yl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide
SMILESCC(CC1CCCC1)NC(=O)CCCOc1ccc2[nH]c(=O)ccc2c1
InChIInChI=1S/C21H28N2O3/c1-15(13-16-5-2-3-6-16)22-20(24)7-4-12-26-18-9-10-19-17(14-18)8-11-21(25)23-19/h8-11,14-16H,2-7,12-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyPKSXAPXRTBJGAA-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.77
Rot. Bonds8

About N-(1-cyclopentylpropan-2-yl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide

N-(1-cyclopentylpropan-2-yl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide (PubChem CID 20563579) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-(1-cyclopentylpropan-2-yl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide.

Molecular Properties

Compound NameN-(1-cyclopentylpropan-2-yl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide
PubChem CID20563579
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-(1-cyclopentylpropan-2-yl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide
SMILESCC(CC1CCCC1)NC(=O)CCCOc1ccc2[nH]c(=O)ccc2c1
InChIInChI=1S/C21H28N2O3/c1-15(13-16-5-2-3-6-16)22-20(24)7-4-12-26-18-9-10-19-17(14-18)8-11-21(25)23-19/h8-11,14-16H,2-7,12-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyPKSXAPXRTBJGAA-UHFFFAOYSA-N
XLogP3.77
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylpropan-2-yl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide?
The IUPAC name of N-(1-cyclopentylpropan-2-yl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide (CID 20563579) is N-(1-cyclopentylpropan-2-yl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide.
What is the SMILES notation for N-(1-cyclopentylpropan-2-yl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide?
The canonical SMILES for N-(1-cyclopentylpropan-2-yl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide is CC(CC1CCCC1)NC(=O)CCCOc1ccc2[nH]c(=O)ccc2c1.
What is the InChIKey of N-(1-cyclopentylpropan-2-yl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide?
The InChIKey is PKSXAPXRTBJGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-15(13-16-5-2-3-6-16)22-20(24)7-4-12-26-18-9-10-19-17(14-18)8-11-21(25)23-19/h8-11,14-16H,2-7,12-13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-(1-cyclopentylpropan-2-yl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide?
N-(1-cyclopentylpropan-2-yl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide has a molecular weight of 356.47 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylpropan-2-yl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide is sourced from PubChem (CID 20563579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).