N-[2-(4-ethoxyphenyl)ethyl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide

C25H26FN3O3 — CID 46272868

IUPACN-[2-(4-ethoxyphenyl)ethyl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
SMILESCCOc1ccc(CCNC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)cc1
InChIInChI=1S/C25H26FN3O3/c1-2-32-20-10-7-18(8-11-20)13-14-27-24(30)6-4-16-29-23-17-19(26)9-12-21(23)28-15-3-5-22(28)25(29)31/h3,5,7-12,15,17H,2,4,6,13-14,16H2,1H3,(H,27,30)
InChIKeyJLDFJWFIRGUMCY-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.93
Rot. Bonds9

About N-[2-(4-ethoxyphenyl)ethyl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide

N-[2-(4-ethoxyphenyl)ethyl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide (PubChem CID 46272868) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)ethyl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)ethyl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
PubChem CID46272868
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC NameN-[2-(4-ethoxyphenyl)ethyl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
SMILESCCOc1ccc(CCNC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)cc1
InChIInChI=1S/C25H26FN3O3/c1-2-32-20-10-7-18(8-11-20)13-14-27-24(30)6-4-16-29-23-17-19(26)9-12-21(23)28-15-3-5-22(28)25(29)31/h3,5,7-12,15,17H,2,4,6,13-14,16H2,1H3,(H,27,30)
InChIKeyJLDFJWFIRGUMCY-UHFFFAOYSA-N
XLogP3.93
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]butanamide
CID 46272869
N-(4-ethoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 46272806
4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 46272890
4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-propan-2-ylbutanamide
CID 46272812
2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-phenylethyl)acetamide
CID 22522681
N-[(2R)-butan-2-yl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 92872070
4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-ethoxyphenyl)butanamide
CID 46272917
N-(2,6-dimethylphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 46272798
4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]butanamide
CID 92872084
N-cyclohexyl-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 22522775
4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-phenylpropyl)butanamide
CID 50757024
N-(3-chloro-4-methoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 46272842

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide (CID 46272868) is N-[2-(4-ethoxyphenyl)ethyl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)ethyl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)ethyl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide is CCOc1ccc(CCNC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)ethyl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The InChIKey is JLDFJWFIRGUMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3/c1-2-32-20-10-7-18(8-11-20)13-14-27-24(30)6-4-16-29-23-17-19(26)9-12-21(23)28-15-3-5-22(28)25(29)31/h3,5,7-12,15,17H,2,4,6,13-14,16H2,1H3,(H,27,30).
What are the key properties of N-[2-(4-ethoxyphenyl)ethyl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
N-[2-(4-ethoxyphenyl)ethyl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide has a molecular weight of 435.50 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)ethyl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide is sourced from PubChem (CID 46272868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).