6-cyclobutyl-4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxopyran-3-carboxamide

C23H24N2O4 — CID 170504165

IUPAC6-cyclobutyl-4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxopyran-3-carboxamide
SMILESCc1ccc2cccc(OCCNC(=O)c3c(C)cc(C4CCC4)oc3=O)c2n1
InChIInChI=1S/C23H24N2O4/c1-14-13-19(16-5-3-6-16)29-23(27)20(14)22(26)24-11-12-28-18-8-4-7-17-10-9-15(2)25-21(17)18/h4,7-10,13,16H,3,5-6,11-12H2,1-2H3,(H,24,26)
InChIKeyXGIQYZDTUWFLII-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.88
Rot. Bonds6

About 6-cyclobutyl-4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxopyran-3-carboxamide

6-cyclobutyl-4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxopyran-3-carboxamide (PubChem CID 170504165) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-cyclobutyl-4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxopyran-3-carboxamide.

Molecular Properties

Compound Name6-cyclobutyl-4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxopyran-3-carboxamide
PubChem CID170504165
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name6-cyclobutyl-4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxopyran-3-carboxamide
SMILESCc1ccc2cccc(OCCNC(=O)c3c(C)cc(C4CCC4)oc3=O)c2n1
InChIInChI=1S/C23H24N2O4/c1-14-13-19(16-5-3-6-16)29-23(27)20(14)22(26)24-11-12-28-18-8-4-7-17-10-9-15(2)25-21(17)18/h4,7-10,13,16H,3,5-6,11-12H2,1-2H3,(H,24,26)
InChIKeyXGIQYZDTUWFLII-UHFFFAOYSA-N
XLogP3.88
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 70782828
5-cyclopropyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-1H-pyrazole-3-carboxamide
CID 74242121
6-cyclobutyl-4-methyl-N-(1,7-naphthyridin-8-yl)-2-oxopyran-3-carboxamide
CID 170503536
6-cyclobutyl-N-[3-(2-methoxyphenoxy)propyl]-N,4-dimethyl-2-oxopyran-3-carboxamide
CID 170503820
N-[2-(2-methylquinolin-8-yl)oxyethyl]cyclopropanamine
CID 43352216
6-cyclobutyl-4-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyran-3-carboxamide
CID 170502685
4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172670127
N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 74243480
6-cyclobutyl-N-(2,6-dimethoxy-3-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide
CID 170509223
6-cyclobutyl-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide
CID 170510643
6-cyclobutyl-N-(3,5-dimethyl-2-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide
CID 171389472
4-(6-aminopyrazin-2-yl)-N-[2-(2-methylquinolin-8-yl)oxyethyl]benzamide
CID 162632263

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxopyran-3-carboxamide?
The IUPAC name of 6-cyclobutyl-4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxopyran-3-carboxamide (CID 170504165) is 6-cyclobutyl-4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxopyran-3-carboxamide.
What is the SMILES notation for 6-cyclobutyl-4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxopyran-3-carboxamide?
The canonical SMILES for 6-cyclobutyl-4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxopyran-3-carboxamide is Cc1ccc2cccc(OCCNC(=O)c3c(C)cc(C4CCC4)oc3=O)c2n1.
What is the InChIKey of 6-cyclobutyl-4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxopyran-3-carboxamide?
The InChIKey is XGIQYZDTUWFLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-14-13-19(16-5-3-6-16)29-23(27)20(14)22(26)24-11-12-28-18-8-4-7-17-10-9-15(2)25-21(17)18/h4,7-10,13,16H,3,5-6,11-12H2,1-2H3,(H,24,26).
What are the key properties of 6-cyclobutyl-4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxopyran-3-carboxamide?
6-cyclobutyl-4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxopyran-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxopyran-3-carboxamide is sourced from PubChem (CID 170504165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).