2-(3-ethynyl-7-fluoroquinolin-6-yl)oxy-N-(1-hydroxy-2-methylpropan-2-yl)butanamide

C19H21FN2O3 — CID 59565445

IUPAC2-(3-ethynyl-7-fluoroquinolin-6-yl)oxy-N-(1-hydroxy-2-methylpropan-2-yl)butanamide
SMILESC#Cc1cnc2cc(F)c(OC(CC)C(=O)NC(C)(C)CO)cc2c1
InChIInChI=1S/C19H21FN2O3/c1-5-12-7-13-8-17(14(20)9-15(13)21-10-12)25-16(6-2)18(24)22-19(3,4)11-23/h1,7-10,16,23H,6,11H2,2-4H3,(H,22,24)
InChIKeyHVFNFOONXQXWTI-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.40
Rot. Bonds6

About 2-(3-ethynyl-7-fluoroquinolin-6-yl)oxy-N-(1-hydroxy-2-methylpropan-2-yl)butanamide

2-(3-ethynyl-7-fluoroquinolin-6-yl)oxy-N-(1-hydroxy-2-methylpropan-2-yl)butanamide (PubChem CID 59565445) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-(3-ethynyl-7-fluoroquinolin-6-yl)oxy-N-(1-hydroxy-2-methylpropan-2-yl)butanamide.

Molecular Properties

Compound Name2-(3-ethynyl-7-fluoroquinolin-6-yl)oxy-N-(1-hydroxy-2-methylpropan-2-yl)butanamide
PubChem CID59565445
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name2-(3-ethynyl-7-fluoroquinolin-6-yl)oxy-N-(1-hydroxy-2-methylpropan-2-yl)butanamide
SMILESC#Cc1cnc2cc(F)c(OC(CC)C(=O)NC(C)(C)CO)cc2c1
InChIInChI=1S/C19H21FN2O3/c1-5-12-7-13-8-17(14(20)9-15(13)21-10-12)25-16(6-2)18(24)22-19(3,4)11-23/h1,7-10,16,23H,6,11H2,2-4H3,(H,22,24)
InChIKeyHVFNFOONXQXWTI-UHFFFAOYSA-N
XLogP2.40
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethynyl-7-fluoroquinolin-6-yl)oxy-N-(1-hydroxy-2-methylpropan-2-yl)butanamide?
The IUPAC name of 2-(3-ethynyl-7-fluoroquinolin-6-yl)oxy-N-(1-hydroxy-2-methylpropan-2-yl)butanamide (CID 59565445) is 2-(3-ethynyl-7-fluoroquinolin-6-yl)oxy-N-(1-hydroxy-2-methylpropan-2-yl)butanamide.
What is the SMILES notation for 2-(3-ethynyl-7-fluoroquinolin-6-yl)oxy-N-(1-hydroxy-2-methylpropan-2-yl)butanamide?
The canonical SMILES for 2-(3-ethynyl-7-fluoroquinolin-6-yl)oxy-N-(1-hydroxy-2-methylpropan-2-yl)butanamide is C#Cc1cnc2cc(F)c(OC(CC)C(=O)NC(C)(C)CO)cc2c1.
What is the InChIKey of 2-(3-ethynyl-7-fluoroquinolin-6-yl)oxy-N-(1-hydroxy-2-methylpropan-2-yl)butanamide?
The InChIKey is HVFNFOONXQXWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-5-12-7-13-8-17(14(20)9-15(13)21-10-12)25-16(6-2)18(24)22-19(3,4)11-23/h1,7-10,16,23H,6,11H2,2-4H3,(H,22,24).
What are the key properties of 2-(3-ethynyl-7-fluoroquinolin-6-yl)oxy-N-(1-hydroxy-2-methylpropan-2-yl)butanamide?
2-(3-ethynyl-7-fluoroquinolin-6-yl)oxy-N-(1-hydroxy-2-methylpropan-2-yl)butanamide has a molecular weight of 344.39 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethynyl-7-fluoroquinolin-6-yl)oxy-N-(1-hydroxy-2-methylpropan-2-yl)butanamide is sourced from PubChem (CID 59565445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).