2-[2-(methoxymethyl)-4-(quinoline-8-carbonyl)morpholin-2-yl]-N-methylacetamide

C19H23N3O4 — CID 132777596

IUPAC2-[2-(methoxymethyl)-4-(quinoline-8-carbonyl)morpholin-2-yl]-N-methylacetamide
SMILESCNC(=O)CC1(COC)CN(C(=O)c2cccc3cccnc23)CCO1
InChIInChI=1S/C19H23N3O4/c1-20-16(23)11-19(13-25-2)12-22(9-10-26-19)18(24)15-7-3-5-14-6-4-8-21-17(14)15/h3-8H,9-13H2,1-2H3,(H,20,23)
InChIKeyNGYCXDRVHPPTEL-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.23
Rot. Bonds5

About 2-[2-(methoxymethyl)-4-(quinoline-8-carbonyl)morpholin-2-yl]-N-methylacetamide

2-[2-(methoxymethyl)-4-(quinoline-8-carbonyl)morpholin-2-yl]-N-methylacetamide (PubChem CID 132777596) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)-4-(quinoline-8-carbonyl)morpholin-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(methoxymethyl)-4-(quinoline-8-carbonyl)morpholin-2-yl]-N-methylacetamide
PubChem CID132777596
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name2-[2-(methoxymethyl)-4-(quinoline-8-carbonyl)morpholin-2-yl]-N-methylacetamide
SMILESCNC(=O)CC1(COC)CN(C(=O)c2cccc3cccnc23)CCO1
InChIInChI=1S/C19H23N3O4/c1-20-16(23)11-19(13-25-2)12-22(9-10-26-19)18(24)15-7-3-5-14-6-4-8-21-17(14)15/h3-8H,9-13H2,1-2H3,(H,20,23)
InChIKeyNGYCXDRVHPPTEL-UHFFFAOYSA-N
XLogP1.23
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)-4-(quinoline-8-carbonyl)morpholin-2-yl]-N-methylacetamide?
The IUPAC name of 2-[2-(methoxymethyl)-4-(quinoline-8-carbonyl)morpholin-2-yl]-N-methylacetamide (CID 132777596) is 2-[2-(methoxymethyl)-4-(quinoline-8-carbonyl)morpholin-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(methoxymethyl)-4-(quinoline-8-carbonyl)morpholin-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-(methoxymethyl)-4-(quinoline-8-carbonyl)morpholin-2-yl]-N-methylacetamide is CNC(=O)CC1(COC)CN(C(=O)c2cccc3cccnc23)CCO1.
What is the InChIKey of 2-[2-(methoxymethyl)-4-(quinoline-8-carbonyl)morpholin-2-yl]-N-methylacetamide?
The InChIKey is NGYCXDRVHPPTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-20-16(23)11-19(13-25-2)12-22(9-10-26-19)18(24)15-7-3-5-14-6-4-8-21-17(14)15/h3-8H,9-13H2,1-2H3,(H,20,23).
What are the key properties of 2-[2-(methoxymethyl)-4-(quinoline-8-carbonyl)morpholin-2-yl]-N-methylacetamide?
2-[2-(methoxymethyl)-4-(quinoline-8-carbonyl)morpholin-2-yl]-N-methylacetamide has a molecular weight of 357.41 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethyl)-4-(quinoline-8-carbonyl)morpholin-2-yl]-N-methylacetamide is sourced from PubChem (CID 132777596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).