[2-(4-methylanilino)-2-oxoethyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate

C32H27N3O3 — CID 23744301

IUPAC[2-(4-methylanilino)-2-oxoethyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2ccc3nc(-c4ccc(C)cc4)c(-c4ccc(C)cc4)nc3c2)cc1
InChIInChI=1S/C32H27N3O3/c1-20-4-10-23(11-5-20)30-31(24-12-6-21(2)7-13-24)35-28-18-25(14-17-27(28)34-30)32(37)38-19-29(36)33-26-15-8-22(3)9-16-26/h4-18H,19H2,1-3H3,(H,33,36)
InChIKeyHQXCIKGPGLZGGE-UHFFFAOYSA-N
MW501.59 g/mol
LogP6.68
Rot. Bonds6

About [2-(4-methylanilino)-2-oxoethyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate

[2-(4-methylanilino)-2-oxoethyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate (PubChem CID 23744301) has the molecular formula C32H27N3O3 and a molecular weight of 501.59 g/mol. Its IUPAC name is [2-(4-methylanilino)-2-oxoethyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate.

Molecular Properties

Compound Name[2-(4-methylanilino)-2-oxoethyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate
PubChem CID23744301
Molecular FormulaC32H27N3O3
Molecular Weight501.59 g/mol
Exact Mass501.21
IUPAC Name[2-(4-methylanilino)-2-oxoethyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2ccc3nc(-c4ccc(C)cc4)c(-c4ccc(C)cc4)nc3c2)cc1
InChIInChI=1S/C32H27N3O3/c1-20-4-10-23(11-5-20)30-31(24-12-6-21(2)7-13-24)35-28-18-25(14-17-27(28)34-30)32(37)38-19-29(36)33-26-15-8-22(3)9-16-26/h4-18H,19H2,1-3H3,(H,33,36)
InChIKeyHQXCIKGPGLZGGE-UHFFFAOYSA-N
XLogP6.68
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-fluoroanilino)-2-oxoethyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate
CID 23831399
[2-(4-methylanilino)-2-oxoethyl] 1,3-benzoxazole-5-carboxylate
CID 23773443
[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] quinoxaline-6-carboxylate
CID 7677351
[2-(4-methylanilino)-2-oxoethyl] 3H-benzimidazole-5-carboxylate
CID 23773440
[2-(4-methylanilino)-2-oxoethyl] 3-hydroxy-4-methylbenzoate
CID 17423458
[2-(4-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 23744300
[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate
CID 23831468
[2-(4-acetamidoanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7677388
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate
CID 23802628
[2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxoethyl] 2,3-diphenylquinoxaline-6-carboxylate
CID 126188565
[2-(4-acetamidophenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8656999
[2-(4-methylanilino)-2-oxoethyl] 3,4,5-trihydroxybenzoate
CID 23763939

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate?
The IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate (CID 23744301) is [2-(4-methylanilino)-2-oxoethyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate.
What is the SMILES notation for [2-(4-methylanilino)-2-oxoethyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate?
The canonical SMILES for [2-(4-methylanilino)-2-oxoethyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate is Cc1ccc(NC(=O)COC(=O)c2ccc3nc(-c4ccc(C)cc4)c(-c4ccc(C)cc4)nc3c2)cc1.
What is the InChIKey of [2-(4-methylanilino)-2-oxoethyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate?
The InChIKey is HQXCIKGPGLZGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N3O3/c1-20-4-10-23(11-5-20)30-31(24-12-6-21(2)7-13-24)35-28-18-25(14-17-27(28)34-30)32(37)38-19-29(36)33-26-15-8-22(3)9-16-26/h4-18H,19H2,1-3H3,(H,33,36).
What are the key properties of [2-(4-methylanilino)-2-oxoethyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate?
[2-(4-methylanilino)-2-oxoethyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate has a molecular weight of 501.59 g/mol, XLogP of 6.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-2-oxoethyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate is sourced from PubChem (CID 23744301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).