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

C23H24N4O3 — CID 46391437

IUPAC3-[4-[2-(benzylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide
SMILESO=C(Cn1c(=O)c(CCC(=O)NC2CC2)nc2ccccc21)NCc1ccccc1
InChIInChI=1S/C23H24N4O3/c28-21(25-17-10-11-17)13-12-19-23(30)27(20-9-5-4-8-18(20)26-19)15-22(29)24-14-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,24,29)(H,25,28)
InChIKeyVPILMXFRIAHPSD-UHFFFAOYSA-N
MW404.47 g/mol
LogP1.92
Rot. Bonds8

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

3-[4-[2-(benzylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide (PubChem CID 46391437) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-[4-[2-(benzylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[4-[2-(benzylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide
PubChem CID46391437
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name3-[4-[2-(benzylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide
SMILESO=C(Cn1c(=O)c(CCC(=O)NC2CC2)nc2ccccc21)NCc1ccccc1
InChIInChI=1S/C23H24N4O3/c28-21(25-17-10-11-17)13-12-19-23(30)27(20-9-5-4-8-18(20)26-19)15-22(29)24-14-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,24,29)(H,25,28)
InChIKeyVPILMXFRIAHPSD-UHFFFAOYSA-N
XLogP1.92
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.92
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
3-[4-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide
CID 46391430
N-cyclopropyl-3-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
CID 46391445
N-ethyl-3-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
CID 53129237
N-methyl-3-[3-oxo-4-[2-oxo-2-(3-phenylpropylamino)ethyl]quinoxalin-2-yl]propanamide
CID 53129358
N-benzyl-3-[4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
CID 50833138
N-cyclopentyl-3-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
CID 50833144
3-[4-[2-[(2-bromophenyl)methylamino]-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53129366
N-[[(2S)-oxolan-2-yl]methyl]-3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanamide
CID 8850288
N-benzyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17033297
N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755737
N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028642

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(benzylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide?
The IUPAC name of 3-[4-[2-(benzylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide (CID 46391437) is 3-[4-[2-(benzylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[4-[2-(benzylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[4-[2-(benzylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide is O=C(Cn1c(=O)c(CCC(=O)NC2CC2)nc2ccccc21)NCc1ccccc1.
What is the InChIKey of 3-[4-[2-(benzylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide?
The InChIKey is VPILMXFRIAHPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-21(25-17-10-11-17)13-12-19-23(30)27(20-9-5-4-8-18(20)26-19)15-22(29)24-14-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,24,29)(H,25,28).
What are the key properties of 3-[4-[2-(benzylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide?
3-[4-[2-(benzylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide has a molecular weight of 404.47 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(benzylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 46391437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).