N-(2,6-dimethylphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide

C23H22FN3O2 — CID 46272798

IUPACN-(2,6-dimethylphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
SMILESCc1cccc(C)c1NC(=O)CCCn1c(=O)c2cccn2c2ccc(F)cc21
InChIInChI=1S/C23H22FN3O2/c1-15-6-3-7-16(2)22(15)25-21(28)9-5-13-27-20-14-17(24)10-11-18(20)26-12-4-8-19(26)23(27)29/h3-4,6-8,10-12,14H,5,9,13H2,1-2H3,(H,25,28)
InChIKeyFYCCWVYUDHMQMJ-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.43
Rot. Bonds5

About N-(2,6-dimethylphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide

N-(2,6-dimethylphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide (PubChem CID 46272798) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
PubChem CID46272798
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC NameN-(2,6-dimethylphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
SMILESCc1cccc(C)c1NC(=O)CCCn1c(=O)c2cccn2c2ccc(F)cc21
InChIInChI=1S/C23H22FN3O2/c1-15-6-3-7-16(2)22(15)25-21(28)9-5-13-27-20-14-17(24)10-11-18(20)26-12-4-8-19(26)23(27)29/h3-4,6-8,10-12,14H,5,9,13H2,1-2H3,(H,25,28)
InChIKeyFYCCWVYUDHMQMJ-UHFFFAOYSA-N
XLogP4.43
TPSA55.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide (CID 46272798) is N-(2,6-dimethylphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide is Cc1cccc(C)c1NC(=O)CCCn1c(=O)c2cccn2c2ccc(F)cc21.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The InChIKey is FYCCWVYUDHMQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-15-6-3-7-16(2)22(15)25-21(28)9-5-13-27-20-14-17(24)10-11-18(20)26-12-4-8-19(26)23(27)29/h3-4,6-8,10-12,14H,5,9,13H2,1-2H3,(H,25,28).
What are the key properties of N-(2,6-dimethylphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
N-(2,6-dimethylphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide has a molecular weight of 391.45 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide is sourced from PubChem (CID 46272798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).