N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide

C20H19FN4O2 — CID 110407656

IUPACN-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NC(C)C(=O)Nc3ccccc3F)cc2nc1C
InChIInChI=1S/C20H19FN4O2/c1-11-12(2)23-18-10-14(8-9-17(18)22-11)20(27)24-13(3)19(26)25-16-7-5-4-6-15(16)21/h4-10,13H,1-3H3,(H,24,27)(H,25,26)
InChIKeyWGUZIISSRDQUAP-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.14
Rot. Bonds4

About N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide

N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 110407656) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID110407656
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NC(C)C(=O)Nc3ccccc3F)cc2nc1C
InChIInChI=1S/C20H19FN4O2/c1-11-12(2)23-18-10-14(8-9-17(18)22-11)20(27)24-13(3)19(26)25-16-7-5-4-6-15(16)21/h4-10,13H,1-3H3,(H,24,27)(H,25,26)
InChIKeyWGUZIISSRDQUAP-UHFFFAOYSA-N
XLogP3.14
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-nitrobenzamide
CID 51149919
N-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide
CID 18160924
N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 110606499
N-[1-[(2-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]benzamide
CID 134351059
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 7720946
2,4-dichloro-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]benzamide
CID 46756631
[1-(2-methylanilino)-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 55391717
N-[1-(2-chloroanilino)-1-oxopropan-2-yl]benzamide
CID 46756229
2-(dimethylcarbamoylamino)-N-(2-fluorophenyl)propanamide
CID 110601209
4-[(2-fluorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180579
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 7717161
N-[1-[2-methyl-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl]benzamide
CID 134351074

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide (CID 110407656) is N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)NC(C)C(=O)Nc3ccccc3F)cc2nc1C.
What is the InChIKey of N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is WGUZIISSRDQUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-11-12(2)23-18-10-14(8-9-17(18)22-11)20(27)24-13(3)19(26)25-16-7-5-4-6-15(16)21/h4-10,13H,1-3H3,(H,24,27)(H,25,26).
What are the key properties of N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide?
N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 110407656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).