2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone;hydrochloride

C24H30ClN3O3 — CID 132914572

IUPAC2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone;hydrochloride
SMILESCC1=CC(C)(C)N(C(=O)CN2CCN(C(=O)c3ccco3)CC2)c2ccc(C)cc21.Cl
InChIInChI=1S/C24H29N3O3.ClH/c1-17-7-8-20-19(14-17)18(2)15-24(3,4)27(20)22(28)16-25-9-11-26(12-10-25)23(29)21-6-5-13-30-21;/h5-8,13-15H,9-12,16H2,1-4H3;1H
InChIKeyPTEOSAVWJJVWHH-UHFFFAOYSA-N
MW443.98 g/mol
LogP4.00
Rot. Bonds3

About 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone;hydrochloride

2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone;hydrochloride (PubChem CID 132914572) has the molecular formula C24H30ClN3O3 and a molecular weight of 443.98 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone;hydrochloride
PubChem CID132914572
Molecular FormulaC24H30ClN3O3
Molecular Weight443.98 g/mol
Exact Mass443.20
IUPAC Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone;hydrochloride
SMILESCC1=CC(C)(C)N(C(=O)CN2CCN(C(=O)c3ccco3)CC2)c2ccc(C)cc21.Cl
InChIInChI=1S/C24H29N3O3.ClH/c1-17-7-8-20-19(14-17)18(2)15-24(3,4)27(20)22(28)16-25-9-11-26(12-10-25)23(29)21-6-5-13-30-21;/h5-8,13-15H,9-12,16H2,1-4H3;1H
InChIKeyPTEOSAVWJJVWHH-UHFFFAOYSA-N
XLogP4.00
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.98
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone;hydrochloride with MolForge

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Related Compounds

2-[4-(4-bromophenyl)piperazin-1-yl]-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone
CID 122714307
N-(2-fluoro-4-methylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 8932787
2-morpholin-4-yl-1-(2,2,4-trimethyl-6-tritylquinolin-1-yl)ethanone
CID 3119223
1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 132952955
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 1452094
1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 78789970
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 8932674
1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 37377595
[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911085
3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-1,3-oxazolidin-2-one
CID 17476381
2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 120776413
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 109030197

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone;hydrochloride (CID 132914572) is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone;hydrochloride is CC1=CC(C)(C)N(C(=O)CN2CCN(C(=O)c3ccco3)CC2)c2ccc(C)cc21.Cl.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone;hydrochloride?
The InChIKey is PTEOSAVWJJVWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3.ClH/c1-17-7-8-20-19(14-17)18(2)15-24(3,4)27(20)22(28)16-25-9-11-26(12-10-25)23(29)21-6-5-13-30-21;/h5-8,13-15H,9-12,16H2,1-4H3;1H.
What are the key properties of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone;hydrochloride?
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone;hydrochloride has a molecular weight of 443.98 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 132914572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).