N-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]-2-(oxan-4-yl)acetamide

C24H26N2O4 — CID 86964994

IUPACN-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]-2-(oxan-4-yl)acetamide
SMILESCOc1ccc(NC(=O)CC2CCOCC2)cc1OCc1ccc2ccccc2n1
InChIInChI=1S/C24H26N2O4/c1-28-22-9-8-19(26-24(27)14-17-10-12-29-13-11-17)15-23(22)30-16-20-7-6-18-4-2-3-5-21(18)25-20/h2-9,15,17H,10-14,16H2,1H3,(H,26,27)
InChIKeyMGQYTZIYKZEVNA-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.58
Rot. Bonds7

About N-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]-2-(oxan-4-yl)acetamide

N-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]-2-(oxan-4-yl)acetamide (PubChem CID 86964994) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]-2-(oxan-4-yl)acetamide
PubChem CID86964994
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC NameN-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]-2-(oxan-4-yl)acetamide
SMILESCOc1ccc(NC(=O)CC2CCOCC2)cc1OCc1ccc2ccccc2n1
InChIInChI=1S/C24H26N2O4/c1-28-22-9-8-19(26-24(27)14-17-10-12-29-13-11-17)15-23(22)30-16-20-7-6-18-4-2-3-5-21(18)25-20/h2-9,15,17H,10-14,16H2,1H3,(H,26,27)
InChIKeyMGQYTZIYKZEVNA-UHFFFAOYSA-N
XLogP4.58
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]-2-(oxan-4-yl)acetamide (CID 86964994) is N-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]-2-(oxan-4-yl)acetamide is COc1ccc(NC(=O)CC2CCOCC2)cc1OCc1ccc2ccccc2n1.
What is the InChIKey of N-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]-2-(oxan-4-yl)acetamide?
The InChIKey is MGQYTZIYKZEVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-28-22-9-8-19(26-24(27)14-17-10-12-29-13-11-17)15-23(22)30-16-20-7-6-18-4-2-3-5-21(18)25-20/h2-9,15,17H,10-14,16H2,1H3,(H,26,27).
What are the key properties of N-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]-2-(oxan-4-yl)acetamide?
N-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]-2-(oxan-4-yl)acetamide has a molecular weight of 406.48 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 86964994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).