2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide

C27H28FN3O5 — CID 118758474

IUPAC2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide
SMILESCOCCN1C(=O)CC(CC(=O)N(C)Cc2ccc(OC)c3ncccc23)(c2ccccc2F)C1=O
InChIInChI=1S/C27H28FN3O5/c1-30(17-18-10-11-22(36-3)25-19(18)7-6-12-29-25)23(32)15-27(20-8-4-5-9-21(20)28)16-24(33)31(26(27)34)13-14-35-2/h4-12H,13-17H2,1-3H3
InChIKeyZMYJHBHIVTZTGC-UHFFFAOYSA-N
MW493.54 g/mol
LogP3.07
Rot. Bonds9

About 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide

2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide (PubChem CID 118758474) has the molecular formula C27H28FN3O5 and a molecular weight of 493.54 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide
PubChem CID118758474
Molecular FormulaC27H28FN3O5
Molecular Weight493.54 g/mol
Exact Mass493.20
IUPAC Name2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide
SMILESCOCCN1C(=O)CC(CC(=O)N(C)Cc2ccc(OC)c3ncccc23)(c2ccccc2F)C1=O
InChIInChI=1S/C27H28FN3O5/c1-30(17-18-10-11-22(36-3)25-19(18)7-6-12-29-25)23(32)15-27(20-8-4-5-9-21(20)28)16-24(33)31(26(27)34)13-14-35-2/h4-12H,13-17H2,1-3H3
InChIKeyZMYJHBHIVTZTGC-UHFFFAOYSA-N
XLogP3.07
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.54
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[(3R)-1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
CID 42162480
2-[3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(naphthalen-1-ylmethyl)acetamide
CID 45227178
N-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylprop-2-enyl)acetamide
CID 45182402
2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(3S)-oxolan-3-yl]acetamide
CID 42319712
2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide
CID 42369054
3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)pyrrolidine-2,5-dione
CID 126462173
(3R)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 125161168
3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-3-(2-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 45182791
N-(cyclobutylmethyl)-2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 42166765
2-[(3S)-3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide
CID 125157100
2-[3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 45184895
2-[(3R)-3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 26283222

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide (CID 118758474) is 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide is COCCN1C(=O)CC(CC(=O)N(C)Cc2ccc(OC)c3ncccc23)(c2ccccc2F)C1=O.
What is the InChIKey of 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide?
The InChIKey is ZMYJHBHIVTZTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O5/c1-30(17-18-10-11-22(36-3)25-19(18)7-6-12-29-25)23(32)15-27(20-8-4-5-9-21(20)28)16-24(33)31(26(27)34)13-14-35-2/h4-12H,13-17H2,1-3H3.
What are the key properties of 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide?
2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide has a molecular weight of 493.54 g/mol, XLogP of 3.07, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 118758474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).