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

C22H21ClN4O3 — CID 46391421

IUPAC3-[4-[2-(4-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide
SMILESO=C(Cn1c(=O)c(CCC(=O)NC2CC2)nc2ccccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN4O3/c23-14-5-7-15(8-6-14)25-21(29)13-27-19-4-2-1-3-17(19)26-18(22(27)30)11-12-20(28)24-16-9-10-16/h1-8,16H,9-13H2,(H,24,28)(H,25,29)
InChIKeyQDPYXCJFJUHLAS-UHFFFAOYSA-N
MW424.89 g/mol
LogP2.90
Rot. Bonds7

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

3-[4-[2-(4-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide (PubChem CID 46391421) has the molecular formula C22H21ClN4O3 and a molecular weight of 424.89 g/mol. Its IUPAC name is 3-[4-[2-(4-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[4-[2-(4-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide
PubChem CID46391421
Molecular FormulaC22H21ClN4O3
Molecular Weight424.89 g/mol
Exact Mass424.13
IUPAC Name3-[4-[2-(4-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide
SMILESO=C(Cn1c(=O)c(CCC(=O)NC2CC2)nc2ccccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN4O3/c23-14-5-7-15(8-6-14)25-21(29)13-27-19-4-2-1-3-17(19)26-18(22(27)30)11-12-20(28)24-16-9-10-16/h1-8,16H,9-13H2,(H,24,28)(H,25,29)
InChIKeyQDPYXCJFJUHLAS-UHFFFAOYSA-N
XLogP2.90
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide
CID 46391430
3-[4-[2-(benzylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide
CID 46391437
N-cyclopropyl-3-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
CID 46391445
3-[4-[2-(4-bromoanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53129343
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-(4-ethoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53129317
3-[4-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
CID 53129425
3-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53129365
N-benzyl-3-[4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
CID 50833138
3-[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-ethylpropanamide
CID 53129204
3-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
CID 53129392

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide?
The IUPAC name of 3-[4-[2-(4-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide (CID 46391421) is 3-[4-[2-(4-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[4-[2-(4-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[4-[2-(4-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide is O=C(Cn1c(=O)c(CCC(=O)NC2CC2)nc2ccccc21)Nc1ccc(Cl)cc1.
What is the InChIKey of 3-[4-[2-(4-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide?
The InChIKey is QDPYXCJFJUHLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O3/c23-14-5-7-15(8-6-14)25-21(29)13-27-19-4-2-1-3-17(19)26-18(22(27)30)11-12-20(28)24-16-9-10-16/h1-8,16H,9-13H2,(H,24,28)(H,25,29).
What are the key properties of 3-[4-[2-(4-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide?
3-[4-[2-(4-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide has a molecular weight of 424.89 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 46391421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).