N-tert-butyl-2-(3-ethynyl-8-methylquinolin-6-yl)oxybutanamide

C20H24N2O2 — CID 59565364

IUPACN-tert-butyl-2-(3-ethynyl-8-methylquinolin-6-yl)oxybutanamide
SMILESC#Cc1cnc2c(C)cc(OC(CC)C(=O)NC(C)(C)C)cc2c1
InChIInChI=1S/C20H24N2O2/c1-7-14-10-15-11-16(9-13(3)18(15)21-12-14)24-17(8-2)19(23)22-20(4,5)6/h1,9-12,17H,8H2,2-6H3,(H,22,23)
InChIKeyDIKMNRNHRLSDSH-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.60
Rot. Bonds4

About N-tert-butyl-2-(3-ethynyl-8-methylquinolin-6-yl)oxybutanamide

N-tert-butyl-2-(3-ethynyl-8-methylquinolin-6-yl)oxybutanamide (PubChem CID 59565364) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-tert-butyl-2-(3-ethynyl-8-methylquinolin-6-yl)oxybutanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3-ethynyl-8-methylquinolin-6-yl)oxybutanamide
PubChem CID59565364
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-tert-butyl-2-(3-ethynyl-8-methylquinolin-6-yl)oxybutanamide
SMILESC#Cc1cnc2c(C)cc(OC(CC)C(=O)NC(C)(C)C)cc2c1
InChIInChI=1S/C20H24N2O2/c1-7-14-10-15-11-16(9-13(3)18(15)21-12-14)24-17(8-2)19(23)22-20(4,5)6/h1,9-12,17H,8H2,2-6H3,(H,22,23)
InChIKeyDIKMNRNHRLSDSH-UHFFFAOYSA-N
XLogP3.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1Z)-1-ethoxyimino-2-methylpropan-2-yl]-2-(3-ethynyl-8-methylquinolin-6-yl)oxybutanamide
CID 87121945
2-(3-bromo-8-methylquinolin-6-yl)oxy-N-tert-butylbutanamide
CID 68714295
2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-methylsulfanyl-N-propylacetamide
CID 90008118
2-(3-ethynyl-8-methylquinolin-6-yl)oxy-N-(1-methoxy-2-methylbut-3-yn-2-yl)-2-methylsulfanylacetamide
CID 59565441
N-tert-butyl-2-[3-(3-methoxyprop-1-ynyl)-8-methylquinolin-6-yl]oxy-2-methylsulfanylacetamide
CID 59565379
2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-methylbutanamide
CID 155191255
2-(3-ethynyl-8-methylquinolin-6-yl)oxy-N-(2-fluoroethyl)-2-methylsulfanylacetamide
CID 90101516
2-(3-bromo-8-methylquinolin-6-yl)oxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]butanamide
CID 87122007
2-(3-ethynyl-8-methylquinolin-6-yl)oxy-N-(2-fluoroethyl)-2-methylsulfanylacetamide;2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-methylsulfanyl-N-propylacetamide
CID 138504588
2-(3-ethynyl-8-methylquinolin-6-yl)oxy-2-(3-fluoropropoxy)acetamide
CID 156654541
2-(3-ethynyl-7-fluoroquinolin-6-yl)oxy-N-(1-hydroxy-2-methylpropan-2-yl)butanamide
CID 59565445
2-(8-bromo-3-ethynylquinolin-6-yl)oxy-N-(2-methylbut-3-yn-2-yl)-2-methylsulfanylacetamide
CID 59565479

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-ethynyl-8-methylquinolin-6-yl)oxybutanamide?
The IUPAC name of N-tert-butyl-2-(3-ethynyl-8-methylquinolin-6-yl)oxybutanamide (CID 59565364) is N-tert-butyl-2-(3-ethynyl-8-methylquinolin-6-yl)oxybutanamide.
What is the SMILES notation for N-tert-butyl-2-(3-ethynyl-8-methylquinolin-6-yl)oxybutanamide?
The canonical SMILES for N-tert-butyl-2-(3-ethynyl-8-methylquinolin-6-yl)oxybutanamide is C#Cc1cnc2c(C)cc(OC(CC)C(=O)NC(C)(C)C)cc2c1.
What is the InChIKey of N-tert-butyl-2-(3-ethynyl-8-methylquinolin-6-yl)oxybutanamide?
The InChIKey is DIKMNRNHRLSDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-7-14-10-15-11-16(9-13(3)18(15)21-12-14)24-17(8-2)19(23)22-20(4,5)6/h1,9-12,17H,8H2,2-6H3,(H,22,23).
What are the key properties of N-tert-butyl-2-(3-ethynyl-8-methylquinolin-6-yl)oxybutanamide?
N-tert-butyl-2-(3-ethynyl-8-methylquinolin-6-yl)oxybutanamide has a molecular weight of 324.42 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-ethynyl-8-methylquinolin-6-yl)oxybutanamide is sourced from PubChem (CID 59565364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).