2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide

C23H26N3O4+ — CID 9150265

IUPAC2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
SMILESO=C(CN1C(=O)Cc2ccccc2C1=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1
InChIInChI=1S/C23H25N3O4/c27-21(16-26-22(28)14-18-8-4-5-9-19(18)23(26)29)24-20(17-6-2-1-3-7-17)15-25-10-12-30-13-11-25/h1-9,20H,10-16H2,(H,24,27)/p+1/t20-/m0/s1
InChIKeyWHRQTLXOFVKNOD-FQEVSTJZSA-O
MW408.48 g/mol
LogP-0.02
Rot. Bonds6

About 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide

2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide (PubChem CID 9150265) has the molecular formula C23H26N3O4+ and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
PubChem CID9150265
Molecular FormulaC23H26N3O4+
Molecular Weight408.48 g/mol
Exact Mass408.19
IUPAC Name2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
SMILESO=C(CN1C(=O)Cc2ccccc2C1=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1
InChIInChI=1S/C23H25N3O4/c27-21(16-26-22(28)14-18-8-4-5-9-19(18)23(26)29)24-20(17-6-2-1-3-7-17)15-25-10-12-30-13-11-25/h1-9,20H,10-16H2,(H,24,27)/p+1/t20-/m0/s1
InChIKeyWHRQTLXOFVKNOD-FQEVSTJZSA-O
XLogP-0.02
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-2-[[2-(1,3-dioxo-4H-isoquinolin-2-yl)acetyl]amino]-2-phenylethyl]-dimethylazanium
CID 8938188
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 9032875
2-(2-morpholin-4-yl-2-oxoethyl)-4H-isoquinoline-1,3-dione
CID 17449767
N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9148319
3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-3-phenylpropanoic acid
CID 53215949
N-[2-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9149121
2-(4-methoxyphenyl)sulfanyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9150013
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-methyl-N'-phenylacetohydrazide
CID 9480265
2-(2-chlorophenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9148972
2-(3-methyl-4-oxophthalazin-1-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9149901
4-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide
CID 9148310
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 9143586

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide?
The IUPAC name of 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide (CID 9150265) is 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide?
The canonical SMILES for 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide is O=C(CN1C(=O)Cc2ccccc2C1=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1.
What is the InChIKey of 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide?
The InChIKey is WHRQTLXOFVKNOD-FQEVSTJZSA-O. The full InChI is InChI=1S/C23H25N3O4/c27-21(16-26-22(28)14-18-8-4-5-9-19(18)23(26)29)24-20(17-6-2-1-3-7-17)15-25-10-12-30-13-11-25/h1-9,20H,10-16H2,(H,24,27)/p+1/t20-/m0/s1.
What are the key properties of 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide?
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide has a molecular weight of 408.48 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide is sourced from PubChem (CID 9150265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).