2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-methylbutanamide

C17H18N2O2 — CID 155191255

IUPAC2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-methylbutanamide
SMILESC#Cc1cnc2c(C)cc(OC(C)(CC)C(N)=O)cc2c1
InChIInChI=1S/C17H18N2O2/c1-5-12-8-13-9-14(7-11(3)15(13)19-10-12)21-17(4,6-2)16(18)20/h1,7-10H,6H2,2-4H3,(H2,18,20)
InChIKeyMGQYVONZYHUQKX-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.56
Rot. Bonds4

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

2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-methylbutanamide (PubChem CID 155191255) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-methylbutanamide.

Molecular Properties

Compound Name2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-methylbutanamide
PubChem CID155191255
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-methylbutanamide
SMILESC#Cc1cnc2c(C)cc(OC(C)(CC)C(N)=O)cc2c1
InChIInChI=1S/C17H18N2O2/c1-5-12-8-13-9-14(7-11(3)15(13)19-10-12)21-17(4,6-2)16(18)20/h1,7-10H,6H2,2-4H3,(H2,18,20)
InChIKeyMGQYVONZYHUQKX-UHFFFAOYSA-N
XLogP2.56
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-8-methylquinolin-6-yl)oxy-2-methylbutanamide?
The IUPAC name of 2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-methylbutanamide (CID 155191255) is 2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-methylbutanamide.
What is the SMILES notation for 2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-methylbutanamide?
The canonical SMILES for 2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-methylbutanamide is C#Cc1cnc2c(C)cc(OC(C)(CC)C(N)=O)cc2c1.
What is the InChIKey of 2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-methylbutanamide?
The InChIKey is MGQYVONZYHUQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-5-12-8-13-9-14(7-11(3)15(13)19-10-12)21-17(4,6-2)16(18)20/h1,7-10H,6H2,2-4H3,(H2,18,20).
What are the key properties of 2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-methylbutanamide?
2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-methylbutanamide has a molecular weight of 282.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-methylbutanamide is sourced from PubChem (CID 155191255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).