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

C23H22FN3O3 — CID 46272806

IUPACN-(4-ethoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
SMILESCCOc1ccc(NC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)cc1
InChIInChI=1S/C23H22FN3O3/c1-2-30-18-10-8-17(9-11-18)25-22(28)6-4-14-27-21-15-16(24)7-12-19(21)26-13-3-5-20(26)23(27)29/h3,5,7-13,15H,2,4,6,14H2,1H3,(H,25,28)
InChIKeyMJCCWGWUYSHGCI-UHFFFAOYSA-N
MW407.45 g/mol
LogP4.21
Rot. Bonds7

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

N-(4-ethoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide (PubChem CID 46272806) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
PubChem CID46272806
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC NameN-(4-ethoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
SMILESCCOc1ccc(NC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)cc1
InChIInChI=1S/C23H22FN3O3/c1-2-30-18-10-8-17(9-11-18)25-22(28)6-4-14-27-21-15-16(24)7-12-19(21)26-13-3-5-20(26)23(27)29/h3,5,7-13,15H,2,4,6,14H2,1H3,(H,25,28)
InChIKeyMJCCWGWUYSHGCI-UHFFFAOYSA-N
XLogP4.21
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-ethoxyphenyl)butanamide
CID 46272917
N-(3-chloro-4-methoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 46272842
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
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-[2-(4-methylsulfanylphenyl)ethyl]butanamide
CID 46272869
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
N-(2,5-dimethylphenyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 22522619
ethyl 3-[4-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)butanoylamino]benzoate
CID 22553519
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
5-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-7-fluoropyrrolo[1,2-a]quinoxalin-4-one
CID 46272884
N-(3-ethylphenyl)-4-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)butanamide
CID 22553546

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide (CID 46272806) is N-(4-ethoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide is CCOc1ccc(NC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The InChIKey is MJCCWGWUYSHGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3/c1-2-30-18-10-8-17(9-11-18)25-22(28)6-4-14-27-21-15-16(24)7-12-19(21)26-13-3-5-20(26)23(27)29/h3,5,7-13,15H,2,4,6,14H2,1H3,(H,25,28).
What are the key properties of N-(4-ethoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
N-(4-ethoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide has a molecular weight of 407.45 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide is sourced from PubChem (CID 46272806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).