2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide

C22H30N4O3 — CID 55466264

IUPAC2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)c2cc3cc(C)ccc3nc2C)CC1
InChIInChI=1S/C22H30N4O3/c1-16-5-6-20-18(13-16)14-19(17(2)24-20)22(28)26-10-8-25(9-11-26)15-21(27)23-7-4-12-29-3/h5-6,13-14H,4,7-12,15H2,1-3H3,(H,23,27)
InChIKeyXWHYPKJFIFLWGG-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.76
Rot. Bonds7

About 2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide

2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 55466264) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID55466264
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)c2cc3cc(C)ccc3nc2C)CC1
InChIInChI=1S/C22H30N4O3/c1-16-5-6-20-18(13-16)14-19(17(2)24-20)22(28)26-10-8-25(9-11-26)15-21(27)23-7-4-12-29-3/h5-6,13-14H,4,7-12,15H2,1-3H3,(H,23,27)
InChIKeyXWHYPKJFIFLWGG-UHFFFAOYSA-N
XLogP1.76
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-2-[4-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide
CID 55581838
2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
CID 51283875
N-(3-methoxypropyl)-2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 55543914
N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 8945118
N-(3-methoxypropyl)-2-[4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]acetamide
CID 55597701
2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 120640503
N-(3-methoxypropyl)-2-[4-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]acetamide
CID 55428887
N-(3-methoxypropyl)-2-[4-[2-(3-methylanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
CID 42876951
methyl 1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxylate
CID 51284162
N-(3-methoxypropyl)-2-[4-(3-methyl-4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 8945123
2-[4-[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55581996
methyl 3-[1-[4-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
CID 55429064

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide (CID 55466264) is 2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN1CCN(C(=O)c2cc3cc(C)ccc3nc2C)CC1.
What is the InChIKey of 2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is XWHYPKJFIFLWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-16-5-6-20-18(13-16)14-19(17(2)24-20)22(28)26-10-8-25(9-11-26)15-21(27)23-7-4-12-29-3/h5-6,13-14H,4,7-12,15H2,1-3H3,(H,23,27).
What are the key properties of 2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 398.51 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 55466264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).