N-[(2-methoxyquinolin-6-yl)methyl]-N-(oxan-4-yl)acetamide

C18H22N2O3 — CID 177077708

IUPACN-[(2-methoxyquinolin-6-yl)methyl]-N-(oxan-4-yl)acetamide
SMILESCOc1ccc2cc(CN(C(C)=O)C3CCOCC3)ccc2n1
InChIInChI=1S/C18H22N2O3/c1-13(21)20(16-7-9-23-10-8-16)12-14-3-5-17-15(11-14)4-6-18(19-17)22-2/h3-6,11,16H,7-10,12H2,1-2H3
InChIKeyFRKVCUDSZUVCAA-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.77
Rot. Bonds4

About N-[(2-methoxyquinolin-6-yl)methyl]-N-(oxan-4-yl)acetamide

N-[(2-methoxyquinolin-6-yl)methyl]-N-(oxan-4-yl)acetamide (PubChem CID 177077708) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[(2-methoxyquinolin-6-yl)methyl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methoxyquinolin-6-yl)methyl]-N-(oxan-4-yl)acetamide
PubChem CID177077708
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-[(2-methoxyquinolin-6-yl)methyl]-N-(oxan-4-yl)acetamide
SMILESCOc1ccc2cc(CN(C(C)=O)C3CCOCC3)ccc2n1
InChIInChI=1S/C18H22N2O3/c1-13(21)20(16-7-9-23-10-8-16)12-14-3-5-17-15(11-14)4-6-18(19-17)22-2/h3-6,11,16H,7-10,12H2,1-2H3
InChIKeyFRKVCUDSZUVCAA-UHFFFAOYSA-N
XLogP2.77
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyquinolin-6-yl)methyl]-N-(oxan-4-yl)acetamide?
The IUPAC name of N-[(2-methoxyquinolin-6-yl)methyl]-N-(oxan-4-yl)acetamide (CID 177077708) is N-[(2-methoxyquinolin-6-yl)methyl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[(2-methoxyquinolin-6-yl)methyl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for N-[(2-methoxyquinolin-6-yl)methyl]-N-(oxan-4-yl)acetamide is COc1ccc2cc(CN(C(C)=O)C3CCOCC3)ccc2n1.
What is the InChIKey of N-[(2-methoxyquinolin-6-yl)methyl]-N-(oxan-4-yl)acetamide?
The InChIKey is FRKVCUDSZUVCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13(21)20(16-7-9-23-10-8-16)12-14-3-5-17-15(11-14)4-6-18(19-17)22-2/h3-6,11,16H,7-10,12H2,1-2H3.
What are the key properties of N-[(2-methoxyquinolin-6-yl)methyl]-N-(oxan-4-yl)acetamide?
N-[(2-methoxyquinolin-6-yl)methyl]-N-(oxan-4-yl)acetamide has a molecular weight of 314.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyquinolin-6-yl)methyl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 177077708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).