3-[4-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide

C22H20ClFN4O3 — CID 46391430

IUPAC3-[4-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide
SMILESO=C(Cn1c(=O)c(CCC(=O)NC2CC2)nc2ccccc21)Nc1ccc(F)cc1Cl
InChIInChI=1S/C22H20ClFN4O3/c23-15-11-13(24)5-8-16(15)27-21(30)12-28-19-4-2-1-3-17(19)26-18(22(28)31)9-10-20(29)25-14-6-7-14/h1-5,8,11,14H,6-7,9-10,12H2,(H,25,29)(H,27,30)
InChIKeySULKOOHOSUNWQK-UHFFFAOYSA-N
MW442.88 g/mol
LogP3.04
Rot. Bonds7

About 3-[4-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide

3-[4-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide (PubChem CID 46391430) has the molecular formula C22H20ClFN4O3 and a molecular weight of 442.88 g/mol. Its IUPAC name is 3-[4-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[4-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide
PubChem CID46391430
Molecular FormulaC22H20ClFN4O3
Molecular Weight442.88 g/mol
Exact Mass442.12
IUPAC Name3-[4-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide
SMILESO=C(Cn1c(=O)c(CCC(=O)NC2CC2)nc2ccccc21)Nc1ccc(F)cc1Cl
InChIInChI=1S/C22H20ClFN4O3/c23-15-11-13(24)5-8-16(15)27-21(30)12-28-19-4-2-1-3-17(19)26-18(22(28)31)9-10-20(29)25-14-6-7-14/h1-5,8,11,14H,6-7,9-10,12H2,(H,25,29)(H,27,30)
InChIKeySULKOOHOSUNWQK-UHFFFAOYSA-N
XLogP3.04
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.88
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[2-(4-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide
CID 46391421
N-cyclopropyl-3-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
CID 46391445
3-[4-[2-(benzylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide
CID 46391437
3-[4-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
CID 53129394
N-cyclopentyl-3-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
CID 50833144
3-[4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53129324
3-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
CID 53129392
N-ethyl-3-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
CID 53129237
2-(3-chloro-2-oxoquinolin-1-yl)-N-cyclopropylacetamide
CID 122155041
N-benzyl-3-[4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
CID 50833138
N-(2-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 17028771
3-[4-[2-(2-ethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
CID 53129384

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide?
The IUPAC name of 3-[4-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide (CID 46391430) is 3-[4-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[4-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[4-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide is O=C(Cn1c(=O)c(CCC(=O)NC2CC2)nc2ccccc21)Nc1ccc(F)cc1Cl.
What is the InChIKey of 3-[4-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide?
The InChIKey is SULKOOHOSUNWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4O3/c23-15-11-13(24)5-8-16(15)27-21(30)12-28-19-4-2-1-3-17(19)26-18(22(28)31)9-10-20(29)25-14-6-7-14/h1-5,8,11,14H,6-7,9-10,12H2,(H,25,29)(H,27,30).
What are the key properties of 3-[4-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide?
3-[4-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide has a molecular weight of 442.88 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 46391430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).