N-(5-morpholin-4-ylisoquinolin-8-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

C23H22N4O4 — CID 41173174

IUPACN-(5-morpholin-4-ylisoquinolin-8-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESO=C(CN1C(=O)COc2ccccc21)Nc1ccc(N2CCOCC2)c2ccncc12
InChIInChI=1S/C23H22N4O4/c28-22(14-27-20-3-1-2-4-21(20)31-15-23(27)29)25-18-5-6-19(26-9-11-30-12-10-26)16-7-8-24-13-17(16)18/h1-8,13H,9-12,14-15H2,(H,25,28)
InChIKeyAMBJYCDWMOLUCX-UHFFFAOYSA-N
MW418.45 g/mol
LogP2.44
Rot. Bonds4

About N-(5-morpholin-4-ylisoquinolin-8-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

N-(5-morpholin-4-ylisoquinolin-8-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 41173174) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-(5-morpholin-4-ylisoquinolin-8-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-morpholin-4-ylisoquinolin-8-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID41173174
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC NameN-(5-morpholin-4-ylisoquinolin-8-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESO=C(CN1C(=O)COc2ccccc21)Nc1ccc(N2CCOCC2)c2ccncc12
InChIInChI=1S/C23H22N4O4/c28-22(14-27-20-3-1-2-4-21(20)31-15-23(27)29)25-18-5-6-19(26-9-11-30-12-10-26)16-7-8-24-13-17(16)18/h1-8,13H,9-12,14-15H2,(H,25,28)
InChIKeyAMBJYCDWMOLUCX-UHFFFAOYSA-N
XLogP2.44
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-morpholin-4-ylisoquinolin-8-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide with MolForge

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Related Compounds

N-(5-chloro-2-morpholin-4-ylphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 26207996
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 41316268
2-(9-oxoacridin-10-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
CID 55501395
N-(2-chlorophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 2993365
2-(3-oxo-1,4-benzoxazin-4-yl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 18886648
4-morpholin-4-yl-4-oxo-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]butanehydrazide
CID 9237466
2-(3-oxo-1,4-benzoxazin-4-yl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 18144949
methyl 2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
CID 2992916
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
CID 55493627
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 8559073
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 2996281
N-(5-morpholin-4-ylisoquinolin-8-yl)-4-nitrobenzamide
CID 17475479

Frequently Asked Questions

What is the IUPAC name of N-(5-morpholin-4-ylisoquinolin-8-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(5-morpholin-4-ylisoquinolin-8-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 41173174) is N-(5-morpholin-4-ylisoquinolin-8-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(5-morpholin-4-ylisoquinolin-8-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(5-morpholin-4-ylisoquinolin-8-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is O=C(CN1C(=O)COc2ccccc21)Nc1ccc(N2CCOCC2)c2ccncc12.
What is the InChIKey of N-(5-morpholin-4-ylisoquinolin-8-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is AMBJYCDWMOLUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c28-22(14-27-20-3-1-2-4-21(20)31-15-23(27)29)25-18-5-6-19(26-9-11-30-12-10-26)16-7-8-24-13-17(16)18/h1-8,13H,9-12,14-15H2,(H,25,28).
What are the key properties of N-(5-morpholin-4-ylisoquinolin-8-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-(5-morpholin-4-ylisoquinolin-8-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 418.45 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-morpholin-4-ylisoquinolin-8-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 41173174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).