2-acetamido-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide

C18H22N4O3 — CID 5067109

IUPAC2-acetamido-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide
SMILESCC(=O)NCC(=O)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1
InChIInChI=1S/C18H22N4O3/c1-12-9-17(22-5-7-25-8-6-22)21-16-4-3-14(10-15(12)16)20-18(24)11-19-13(2)23/h3-4,9-10H,5-8,11H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyMMUQSHSEOFHWGM-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.45
Rot. Bonds4

About 2-acetamido-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide

2-acetamido-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide (PubChem CID 5067109) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-acetamido-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide.

Molecular Properties

Compound Name2-acetamido-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide
PubChem CID5067109
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-acetamido-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide
SMILESCC(=O)NCC(=O)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1
InChIInChI=1S/C18H22N4O3/c1-12-9-17(22-5-7-25-8-6-22)21-16-4-3-14(10-15(12)16)20-18(24)11-19-13(2)23/h3-4,9-10H,5-8,11H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyMMUQSHSEOFHWGM-UHFFFAOYSA-N
XLogP1.45
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide?
The IUPAC name of 2-acetamido-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide (CID 5067109) is 2-acetamido-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide.
What is the SMILES notation for 2-acetamido-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide?
The canonical SMILES for 2-acetamido-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide is CC(=O)NCC(=O)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1.
What is the InChIKey of 2-acetamido-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide?
The InChIKey is MMUQSHSEOFHWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-9-17(22-5-7-25-8-6-22)21-16-4-3-14(10-15(12)16)20-18(24)11-19-13(2)23/h3-4,9-10H,5-8,11H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of 2-acetamido-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide?
2-acetamido-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide has a molecular weight of 342.40 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide is sourced from PubChem (CID 5067109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).