2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-(3-fluoropropoxy)acetamide

C17H17FN2O3 — CID 156654541

IUPAC2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-(3-fluoropropoxy)acetamide
SMILESC#Cc1cnc2c(C)cc(OC(OCCCF)C(N)=O)cc2c1
InChIInChI=1S/C17H17FN2O3/c1-3-12-8-13-9-14(7-11(2)15(13)20-10-12)23-17(16(19)21)22-6-4-5-18/h1,7-10,17H,4-6H2,2H3,(H2,19,21)
InChIKeyRYWKDLJQQPDCBD-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.09
Rot. Bonds7

About 2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-(3-fluoropropoxy)acetamide

2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-(3-fluoropropoxy)acetamide (PubChem CID 156654541) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-(3-fluoropropoxy)acetamide.

Molecular Properties

Compound Name2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-(3-fluoropropoxy)acetamide
PubChem CID156654541
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-(3-fluoropropoxy)acetamide
SMILESC#Cc1cnc2c(C)cc(OC(OCCCF)C(N)=O)cc2c1
InChIInChI=1S/C17H17FN2O3/c1-3-12-8-13-9-14(7-11(2)15(13)20-10-12)23-17(16(19)21)22-6-4-5-18/h1,7-10,17H,4-6H2,2H3,(H2,19,21)
InChIKeyRYWKDLJQQPDCBD-UHFFFAOYSA-N
XLogP2.09
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-(3-fluoropropoxy)acetamide?
The IUPAC name of 2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-(3-fluoropropoxy)acetamide (CID 156654541) is 2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-(3-fluoropropoxy)acetamide.
What is the SMILES notation for 2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-(3-fluoropropoxy)acetamide?
The canonical SMILES for 2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-(3-fluoropropoxy)acetamide is C#Cc1cnc2c(C)cc(OC(OCCCF)C(N)=O)cc2c1.
What is the InChIKey of 2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-(3-fluoropropoxy)acetamide?
The InChIKey is RYWKDLJQQPDCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-3-12-8-13-9-14(7-11(2)15(13)20-10-12)23-17(16(19)21)22-6-4-5-18/h1,7-10,17H,4-6H2,2H3,(H2,19,21).
What are the key properties of 2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-(3-fluoropropoxy)acetamide?
2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-(3-fluoropropoxy)acetamide has a molecular weight of 316.33 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-(3-fluoropropoxy)acetamide is sourced from PubChem (CID 156654541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).