N-benzyl-2-(4-benzyl-7-chloro-3-oxoquinoxalin-2-yl)oxy-N-propan-2-ylacetamide

C27H26ClN3O3 — CID 20994850

IUPACN-benzyl-2-(4-benzyl-7-chloro-3-oxoquinoxalin-2-yl)oxy-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)COc1nc2cc(Cl)ccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C27H26ClN3O3/c1-19(2)30(16-20-9-5-3-6-10-20)25(32)18-34-26-27(33)31(17-21-11-7-4-8-12-21)24-14-13-22(28)15-23(24)29-26/h3-15,19H,16-18H2,1-2H3
InChIKeyBETXMZBNQINDQL-UHFFFAOYSA-N
MW475.98 g/mol
LogP4.91
Rot. Bonds8

About N-benzyl-2-(4-benzyl-7-chloro-3-oxoquinoxalin-2-yl)oxy-N-propan-2-ylacetamide

N-benzyl-2-(4-benzyl-7-chloro-3-oxoquinoxalin-2-yl)oxy-N-propan-2-ylacetamide (PubChem CID 20994850) has the molecular formula C27H26ClN3O3 and a molecular weight of 475.98 g/mol. Its IUPAC name is N-benzyl-2-(4-benzyl-7-chloro-3-oxoquinoxalin-2-yl)oxy-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-benzyl-7-chloro-3-oxoquinoxalin-2-yl)oxy-N-propan-2-ylacetamide
PubChem CID20994850
Molecular FormulaC27H26ClN3O3
Molecular Weight475.98 g/mol
Exact Mass475.17
IUPAC NameN-benzyl-2-(4-benzyl-7-chloro-3-oxoquinoxalin-2-yl)oxy-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)COc1nc2cc(Cl)ccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C27H26ClN3O3/c1-19(2)30(16-20-9-5-3-6-10-20)25(32)18-34-26-27(33)31(17-21-11-7-4-8-12-21)24-14-13-22(28)15-23(24)29-26/h3-15,19H,16-18H2,1-2H3
InChIKeyBETXMZBNQINDQL-UHFFFAOYSA-N
XLogP4.91
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.98
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17001117
2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetic acid
CID 5011390
2-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl-(2-methylpropyl)amino]acetamide
CID 78877135
1-[1-(1-benzyl-5-chlorobenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 119903896
1-benzyl-6-chloro-3-(2,2,2-trifluoroethyl)quinoxalin-2-one
CID 134851273
N-benzyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 2483829
2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetamide
CID 3892285
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(4-benzyl-7-chloro-3-oxoquinoxalin-2-yl)propanoate
CID 3720581
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(4-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 46671041
N-benzyl-N-[1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-phenylpropanamide
CID 4237353
2-[4-[1-(1-benzyl-5-chlorobenzimidazol-2-yl)ethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 46480250
propan-2-yl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)acetate
CID 174510963

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-benzyl-7-chloro-3-oxoquinoxalin-2-yl)oxy-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-(4-benzyl-7-chloro-3-oxoquinoxalin-2-yl)oxy-N-propan-2-ylacetamide (CID 20994850) is N-benzyl-2-(4-benzyl-7-chloro-3-oxoquinoxalin-2-yl)oxy-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-(4-benzyl-7-chloro-3-oxoquinoxalin-2-yl)oxy-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-(4-benzyl-7-chloro-3-oxoquinoxalin-2-yl)oxy-N-propan-2-ylacetamide is CC(C)N(Cc1ccccc1)C(=O)COc1nc2cc(Cl)ccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of N-benzyl-2-(4-benzyl-7-chloro-3-oxoquinoxalin-2-yl)oxy-N-propan-2-ylacetamide?
The InChIKey is BETXMZBNQINDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O3/c1-19(2)30(16-20-9-5-3-6-10-20)25(32)18-34-26-27(33)31(17-21-11-7-4-8-12-21)24-14-13-22(28)15-23(24)29-26/h3-15,19H,16-18H2,1-2H3.
What are the key properties of N-benzyl-2-(4-benzyl-7-chloro-3-oxoquinoxalin-2-yl)oxy-N-propan-2-ylacetamide?
N-benzyl-2-(4-benzyl-7-chloro-3-oxoquinoxalin-2-yl)oxy-N-propan-2-ylacetamide has a molecular weight of 475.98 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-benzyl-7-chloro-3-oxoquinoxalin-2-yl)oxy-N-propan-2-ylacetamide is sourced from PubChem (CID 20994850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).