2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]ethanone

C26H28N4O2 — CID 108731273

IUPAC2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]ethanone
SMILESCc1cc(C)c2onc(CC(=O)N3CCN(c4cc(C)c5cccc(C)c5n4)CC3)c2c1
InChIInChI=1S/C26H28N4O2/c1-16-12-19(4)26-21(13-16)22(28-32-26)15-24(31)30-10-8-29(9-11-30)23-14-18(3)20-7-5-6-17(2)25(20)27-23/h5-7,12-14H,8-11,15H2,1-4H3
InChIKeySFBCALIFLSPFKB-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.50
Rot. Bonds3

About 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]ethanone

2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]ethanone (PubChem CID 108731273) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]ethanone
PubChem CID108731273
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]ethanone
SMILESCc1cc(C)c2onc(CC(=O)N3CCN(c4cc(C)c5cccc(C)c5n4)CC3)c2c1
InChIInChI=1S/C26H28N4O2/c1-16-12-19(4)26-21(13-16)22(28-32-26)15-24(31)30-10-8-29(9-11-30)23-14-18(3)20-7-5-6-17(2)25(20)27-23/h5-7,12-14H,8-11,15H2,1-4H3
InChIKeySFBCALIFLSPFKB-UHFFFAOYSA-N
XLogP4.50
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 108730008
3-bromo-1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]propan-1-one
CID 108731281
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethanone
CID 108729590
methyl 4-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-4-oxobutanoate
CID 108731300
1-(3,4-dimethylphenyl)-4-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]butane-1,4-dione
CID 108731269
1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 108731191
2-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]acetic acid
CID 82166224
1-adamantyl-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
CID 108731208
1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
CID 108731248
2-(2,4-dichlorophenoxy)-1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]ethanone
CID 108754806
1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-4-naphthalen-2-yloxybutan-1-one
CID 108754811
(3,4-dichlorophenyl)-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
CID 108754708

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]ethanone (CID 108731273) is 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]ethanone is Cc1cc(C)c2onc(CC(=O)N3CCN(c4cc(C)c5cccc(C)c5n4)CC3)c2c1.
What is the InChIKey of 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is SFBCALIFLSPFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-16-12-19(4)26-21(13-16)22(28-32-26)15-24(31)30-10-8-29(9-11-30)23-14-18(3)20-7-5-6-17(2)25(20)27-23/h5-7,12-14H,8-11,15H2,1-4H3.
What are the key properties of 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]ethanone?
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 428.54 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 108731273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).