2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide

C20H15F2N3O2 — CID 22522714

IUPAC2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1c(=O)c2cccn2c2ccc(F)cc21)NCc1ccccc1F
InChIInChI=1S/C20H15F2N3O2/c21-14-7-8-16-18(10-14)25(20(27)17-6-3-9-24(16)17)12-19(26)23-11-13-4-1-2-5-15(13)22/h1-10H,11-12H2,(H,23,26)
InChIKeyWNVJSUMZTIPQTP-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.85
Rot. Bonds4

About 2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide

2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 22522714) has the molecular formula C20H15F2N3O2 and a molecular weight of 367.36 g/mol. Its IUPAC name is 2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID22522714
Molecular FormulaC20H15F2N3O2
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Name2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1c(=O)c2cccn2c2ccc(F)cc21)NCc1ccccc1F
InChIInChI=1S/C20H15F2N3O2/c21-14-7-8-16-18(10-14)25(20(27)17-6-3-9-24(16)17)12-19(26)23-11-13-4-1-2-5-15(13)22/h1-10H,11-12H2,(H,23,26)
InChIKeyWNVJSUMZTIPQTP-UHFFFAOYSA-N
XLogP2.85
TPSA55.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-phenylethyl)acetamide
CID 22522681
2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 113195740
2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-methylcyclohexyl)acetamide
CID 22522689
2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 113195549
3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(furan-2-ylmethyl)propanamide
CID 46272762
N-[(2-fluorophenyl)methyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195175
4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-propan-2-ylbutanamide
CID 46272812
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 8986901
N-[(2-fluorophenyl)methyl]-2-[3-(4-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 71841351
N-(2,6-dimethylphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 46272798
N-[(2R)-butan-2-yl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 92872070
N-[(2-fluorophenyl)methyl]-2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide
CID 31313746

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide (CID 22522714) is 2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide is O=C(Cn1c(=O)c2cccn2c2ccc(F)cc21)NCc1ccccc1F.
What is the InChIKey of 2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is WNVJSUMZTIPQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O2/c21-14-7-8-16-18(10-14)25(20(27)17-6-3-9-24(16)17)12-19(26)23-11-13-4-1-2-5-15(13)22/h1-10H,11-12H2,(H,23,26).
What are the key properties of 2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide?
2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 367.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 22522714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).