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

C25H21ClN4O3 — CID 20894967

IUPACN-[2-[4-[2-(3-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2cccc(Cl)c2)c1=O
InChIInChI=1S/C25H21ClN4O3/c1-2-22(31)28-19-11-4-3-10-18(19)24-25(33)30(21-13-6-5-12-20(21)29-24)15-23(32)27-17-9-7-8-16(26)14-17/h3-14H,2,15H2,1H3,(H,27,32)(H,28,31)
InChIKeyKZUJVBHEDXXSCG-UHFFFAOYSA-N
MW460.92 g/mol
LogP4.70
Rot. Bonds6

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

N-[2-[4-[2-(3-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide (PubChem CID 20894967) has the molecular formula C25H21ClN4O3 and a molecular weight of 460.92 g/mol. Its IUPAC name is N-[2-[4-[2-(3-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-[4-[2-(3-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide
PubChem CID20894967
Molecular FormulaC25H21ClN4O3
Molecular Weight460.92 g/mol
Exact Mass460.13
IUPAC NameN-[2-[4-[2-(3-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2cccc(Cl)c2)c1=O
InChIInChI=1S/C25H21ClN4O3/c1-2-22(31)28-19-11-4-3-10-18(19)24-25(33)30(21-13-6-5-12-20(21)29-24)15-23(32)27-17-9-7-8-16(26)14-17/h3-14H,2,15H2,1H3,(H,27,32)(H,28,31)
InChIKeyKZUJVBHEDXXSCG-UHFFFAOYSA-N
XLogP4.70
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.92
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide
CID 46266252
2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3-acetylphenyl)acetamide
CID 46367536
N-[2-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]-2-methylpropanamide
CID 46367572
2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 20894952
N-[2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide
CID 20895410
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide
CID 17028922
N-[2-[4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide
CID 46367566
N-[2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide
CID 46266404
N-(3-chlorophenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
CID 112787812
N-[2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide
CID 50812888
N-(3-ethylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]butanamide
CID 46266247
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 84571223

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(3-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide?
The IUPAC name of N-[2-[4-[2-(3-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide (CID 20894967) is N-[2-[4-[2-(3-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide.
What is the SMILES notation for N-[2-[4-[2-(3-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide?
The canonical SMILES for N-[2-[4-[2-(3-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide is CCC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2cccc(Cl)c2)c1=O.
What is the InChIKey of N-[2-[4-[2-(3-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide?
The InChIKey is KZUJVBHEDXXSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O3/c1-2-22(31)28-19-11-4-3-10-18(19)24-25(33)30(21-13-6-5-12-20(21)29-24)15-23(32)27-17-9-7-8-16(26)14-17/h3-14H,2,15H2,1H3,(H,27,32)(H,28,31).
What are the key properties of N-[2-[4-[2-(3-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide?
N-[2-[4-[2-(3-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide has a molecular weight of 460.92 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(3-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide is sourced from PubChem (CID 20894967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).