N-(3-chloro-4-methylphenyl)-4-[(3-chlorophenyl)methyl]-3-oxoquinoxaline-2-carboxamide

C23H17Cl2N3O2 — CID 46365084

IUPACN-(3-chloro-4-methylphenyl)-4-[(3-chlorophenyl)methyl]-3-oxoquinoxaline-2-carboxamide
SMILESCc1ccc(NC(=O)c2nc3ccccc3n(Cc3cccc(Cl)c3)c2=O)cc1Cl
InChIInChI=1S/C23H17Cl2N3O2/c1-14-9-10-17(12-18(14)25)26-22(29)21-23(30)28(13-15-5-4-6-16(24)11-15)20-8-3-2-7-19(20)27-21/h2-12H,13H2,1H3,(H,26,29)
InChIKeyHJOUCFKXEHCARR-UHFFFAOYSA-N
MW438.31 g/mol
LogP5.31
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-4-[(3-chlorophenyl)methyl]-3-oxoquinoxaline-2-carboxamide

N-(3-chloro-4-methylphenyl)-4-[(3-chlorophenyl)methyl]-3-oxoquinoxaline-2-carboxamide (PubChem CID 46365084) has the molecular formula C23H17Cl2N3O2 and a molecular weight of 438.31 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-[(3-chlorophenyl)methyl]-3-oxoquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-[(3-chlorophenyl)methyl]-3-oxoquinoxaline-2-carboxamide
PubChem CID46365084
Molecular FormulaC23H17Cl2N3O2
Molecular Weight438.31 g/mol
Exact Mass437.07
IUPAC NameN-(3-chloro-4-methylphenyl)-4-[(3-chlorophenyl)methyl]-3-oxoquinoxaline-2-carboxamide
SMILESCc1ccc(NC(=O)c2nc3ccccc3n(Cc3cccc(Cl)c3)c2=O)cc1Cl
InChIInChI=1S/C23H17Cl2N3O2/c1-14-9-10-17(12-18(14)25)26-22(29)21-23(30)28(13-15-5-4-6-16(24)11-15)20-8-3-2-7-19(20)27-21/h2-12H,13H2,1H3,(H,26,29)
InChIKeyHJOUCFKXEHCARR-UHFFFAOYSA-N
XLogP5.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.31
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 46324645
4-ethyl-N-(4-methylphenyl)-3-oxoquinoxaline-2-carboxamide
CID 46249419
N-(3-chloro-2-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide
CID 50808152
1-[3-[(3-chlorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-3-phenylurea
CID 1174061
N-(3-chloro-4-methylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 40926754
N-benzyl-3-[4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
CID 50833138
4-ethyl-N-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxamide
CID 50808114
3-[4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53129324
N-[2-benzyl-3-[(3-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-4-chlorobenzamide
CID 3188187
2-[(1S,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 92667236
N-(3-chlorophenyl)-3-methylquinoxaline-2-carboxamide
CID 110858888
1-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)benzimidazole
CID 134083955

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-[(3-chlorophenyl)methyl]-3-oxoquinoxaline-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-[(3-chlorophenyl)methyl]-3-oxoquinoxaline-2-carboxamide (CID 46365084) is N-(3-chloro-4-methylphenyl)-4-[(3-chlorophenyl)methyl]-3-oxoquinoxaline-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-[(3-chlorophenyl)methyl]-3-oxoquinoxaline-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-[(3-chlorophenyl)methyl]-3-oxoquinoxaline-2-carboxamide is Cc1ccc(NC(=O)c2nc3ccccc3n(Cc3cccc(Cl)c3)c2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-[(3-chlorophenyl)methyl]-3-oxoquinoxaline-2-carboxamide?
The InChIKey is HJOUCFKXEHCARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O2/c1-14-9-10-17(12-18(14)25)26-22(29)21-23(30)28(13-15-5-4-6-16(24)11-15)20-8-3-2-7-19(20)27-21/h2-12H,13H2,1H3,(H,26,29).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-[(3-chlorophenyl)methyl]-3-oxoquinoxaline-2-carboxamide?
N-(3-chloro-4-methylphenyl)-4-[(3-chlorophenyl)methyl]-3-oxoquinoxaline-2-carboxamide has a molecular weight of 438.31 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-[(3-chlorophenyl)methyl]-3-oxoquinoxaline-2-carboxamide is sourced from PubChem (CID 46365084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).