2-[1-(cyclobutylmethyl)-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-piperidin-1-ylethyl)acetamide

C24H33N3O3 — CID 42877942

IUPAC2-[1-(cyclobutylmethyl)-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-piperidin-1-ylethyl)acetamide
SMILESCc1cc(=O)n(CC2CCC2)c2cc(OCC(=O)NCCN3CCCCC3)ccc12
InChIInChI=1S/C24H33N3O3/c1-18-14-24(29)27(16-19-6-5-7-19)22-15-20(8-9-21(18)22)30-17-23(28)25-10-13-26-11-3-2-4-12-26/h8-9,14-15,19H,2-7,10-13,16-17H2,1H3,(H,25,28)
InChIKeyVYFDVJOHBKBSCG-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.09
Rot. Bonds8

About 2-[1-(cyclobutylmethyl)-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-piperidin-1-ylethyl)acetamide

2-[1-(cyclobutylmethyl)-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 42877942) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID42877942
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name2-[1-(cyclobutylmethyl)-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-piperidin-1-ylethyl)acetamide
SMILESCc1cc(=O)n(CC2CCC2)c2cc(OCC(=O)NCCN3CCCCC3)ccc12
InChIInChI=1S/C24H33N3O3/c1-18-14-24(29)27(16-19-6-5-7-19)22-15-20(8-9-21(18)22)30-17-23(28)25-10-13-26-11-3-2-4-12-26/h8-9,14-15,19H,2-7,10-13,16-17H2,1H3,(H,25,28)
InChIKeyVYFDVJOHBKBSCG-UHFFFAOYSA-N
XLogP3.09
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylmethyl)-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of 2-[1-(cyclobutylmethyl)-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-piperidin-1-ylethyl)acetamide (CID 42877942) is 2-[1-(cyclobutylmethyl)-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[1-(cyclobutylmethyl)-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[1-(cyclobutylmethyl)-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-piperidin-1-ylethyl)acetamide is Cc1cc(=O)n(CC2CCC2)c2cc(OCC(=O)NCCN3CCCCC3)ccc12.
What is the InChIKey of 2-[1-(cyclobutylmethyl)-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is VYFDVJOHBKBSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-18-14-24(29)27(16-19-6-5-7-19)22-15-20(8-9-21(18)22)30-17-23(28)25-10-13-26-11-3-2-4-12-26/h8-9,14-15,19H,2-7,10-13,16-17H2,1H3,(H,25,28).
What are the key properties of 2-[1-(cyclobutylmethyl)-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-piperidin-1-ylethyl)acetamide?
2-[1-(cyclobutylmethyl)-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 411.55 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutylmethyl)-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 42877942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).