N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide

C22H22FN3O3 — CID 34577612

IUPACN-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
SMILESO=C1CN(C(=O)CCC(=O)N(Cc2ccccc2F)C2CC2)c2ccccc2N1
InChIInChI=1S/C22H22FN3O3/c23-17-6-2-1-5-15(17)13-25(16-9-10-16)21(28)11-12-22(29)26-14-20(27)24-18-7-3-4-8-19(18)26/h1-8,16H,9-14H2,(H,24,27)
InChIKeyYJHWEDGLMWOVLF-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.08
Rot. Bonds6

About N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide (PubChem CID 34577612) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
PubChem CID34577612
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
SMILESO=C1CN(C(=O)CCC(=O)N(Cc2ccccc2F)C2CC2)c2ccccc2N1
InChIInChI=1S/C22H22FN3O3/c23-17-6-2-1-5-15(17)13-25(16-9-10-16)21(28)11-12-22(29)26-14-20(27)24-18-7-3-4-8-19(18)26/h1-8,16H,9-14H2,(H,24,27)
InChIKeyYJHWEDGLMWOVLF-UHFFFAOYSA-N
XLogP3.08
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide with MolForge

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Related Compounds

4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 54869271
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119272346
N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172
4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one
CID 26860756
4-(6-aminohexanoyl)-1,3-dihydroquinoxalin-2-one
CID 28822275
N-cyclopropyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]butanamide
CID 24549331
4-[1-[(2-fluorophenyl)methyl]piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 43925393
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 35623009
N-cyclopropyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-fluorophenyl)methyl]propanamide
CID 34578471
N-(2-aminoethyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(2-phenylethyl)butanamide
CID 120886014
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-fluorobenzoate
CID 2431024
N-cycloheptyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 35806320

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide?
The IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide (CID 34577612) is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide.
What is the SMILES notation for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide?
The canonical SMILES for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide is O=C1CN(C(=O)CCC(=O)N(Cc2ccccc2F)C2CC2)c2ccccc2N1.
What is the InChIKey of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide?
The InChIKey is YJHWEDGLMWOVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c23-17-6-2-1-5-15(17)13-25(16-9-10-16)21(28)11-12-22(29)26-14-20(27)24-18-7-3-4-8-19(18)26/h1-8,16H,9-14H2,(H,24,27).
What are the key properties of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide?
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide has a molecular weight of 395.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide is sourced from PubChem (CID 34577612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).