(2S)-N-(8-butoxyquinolin-5-yl)-2-(4-fluorophenoxy)butanamide

C23H25FN2O3 — CID 26823449

IUPAC(2S)-N-(8-butoxyquinolin-5-yl)-2-(4-fluorophenoxy)butanamide
SMILESCCCCOc1ccc(NC(=O)[C@H](CC)Oc2ccc(F)cc2)c2cccnc12
InChIInChI=1S/C23H25FN2O3/c1-3-5-15-28-21-13-12-19(18-7-6-14-25-22(18)21)26-23(27)20(4-2)29-17-10-8-16(24)9-11-17/h6-14,20H,3-5,15H2,1-2H3,(H,26,27)/t20-/m0/s1
InChIKeyICSCTUUNFMMXEA-FQEVSTJZSA-N
MW396.46 g/mol
LogP5.35
Rot. Bonds9

About (2S)-N-(8-butoxyquinolin-5-yl)-2-(4-fluorophenoxy)butanamide

(2S)-N-(8-butoxyquinolin-5-yl)-2-(4-fluorophenoxy)butanamide (PubChem CID 26823449) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is (2S)-N-(8-butoxyquinolin-5-yl)-2-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-(8-butoxyquinolin-5-yl)-2-(4-fluorophenoxy)butanamide
PubChem CID26823449
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name(2S)-N-(8-butoxyquinolin-5-yl)-2-(4-fluorophenoxy)butanamide
SMILESCCCCOc1ccc(NC(=O)[C@H](CC)Oc2ccc(F)cc2)c2cccnc12
InChIInChI=1S/C23H25FN2O3/c1-3-5-15-28-21-13-12-19(18-7-6-14-25-22(18)21)26-23(27)20(4-2)29-17-10-8-16(24)9-11-17/h6-14,20H,3-5,15H2,1-2H3,(H,26,27)/t20-/m0/s1
InChIKeyICSCTUUNFMMXEA-FQEVSTJZSA-N
XLogP5.35
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.46
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-N-(8-butoxyquinolin-5-yl)-2-(4-fluorophenoxy)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(8-ethoxyquinolin-5-yl)-2-(4-fluorophenoxy)propanamide
CID 35671687
(2S)-N-(8-butoxyquinolin-5-yl)-2-(3,5-dimethylphenoxy)propanamide
CID 26823412
N-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide
CID 100773589
N-(8-butoxyquinolin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 26823452
N-butyl-2-[[(2S)-2-(4-fluorophenoxy)butanoyl]amino]benzamide
CID 28632385
N-(8-butoxyquinolin-5-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
CID 100777985
(2R)-N-(8-ethoxyquinolin-5-yl)-2-(4-ethylphenoxy)propanamide
CID 26823233
(2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide
CID 100776734
2-ethyl-N-(8-methoxyquinolin-5-yl)butanamide
CID 26823136
N-(8-butoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide
CID 133205598
(2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide
CID 100776505
2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100773580

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(8-butoxyquinolin-5-yl)-2-(4-fluorophenoxy)butanamide?
The IUPAC name of (2S)-N-(8-butoxyquinolin-5-yl)-2-(4-fluorophenoxy)butanamide (CID 26823449) is (2S)-N-(8-butoxyquinolin-5-yl)-2-(4-fluorophenoxy)butanamide.
What is the SMILES notation for (2S)-N-(8-butoxyquinolin-5-yl)-2-(4-fluorophenoxy)butanamide?
The canonical SMILES for (2S)-N-(8-butoxyquinolin-5-yl)-2-(4-fluorophenoxy)butanamide is CCCCOc1ccc(NC(=O)[C@H](CC)Oc2ccc(F)cc2)c2cccnc12.
What is the InChIKey of (2S)-N-(8-butoxyquinolin-5-yl)-2-(4-fluorophenoxy)butanamide?
The InChIKey is ICSCTUUNFMMXEA-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H25FN2O3/c1-3-5-15-28-21-13-12-19(18-7-6-14-25-22(18)21)26-23(27)20(4-2)29-17-10-8-16(24)9-11-17/h6-14,20H,3-5,15H2,1-2H3,(H,26,27)/t20-/m0/s1.
What are the key properties of (2S)-N-(8-butoxyquinolin-5-yl)-2-(4-fluorophenoxy)butanamide?
(2S)-N-(8-butoxyquinolin-5-yl)-2-(4-fluorophenoxy)butanamide has a molecular weight of 396.46 g/mol, XLogP of 5.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(8-butoxyquinolin-5-yl)-2-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 26823449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).