N-benzyl-2-[4-(6-methoxyquinoline-2-carbonyl)piperazin-1-yl]acetamide

C24H26N4O3 — CID 30458840

IUPACN-benzyl-2-[4-(6-methoxyquinoline-2-carbonyl)piperazin-1-yl]acetamide
SMILESCOc1ccc2nc(C(=O)N3CCN(CC(=O)NCc4ccccc4)CC3)ccc2c1
InChIInChI=1S/C24H26N4O3/c1-31-20-8-10-21-19(15-20)7-9-22(26-21)24(30)28-13-11-27(12-14-28)17-23(29)25-16-18-5-3-2-4-6-18/h2-10,15H,11-14,16-17H2,1H3,(H,25,29)
InChIKeyZLANPWZXKUHPCK-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.32
Rot. Bonds6

About N-benzyl-2-[4-(6-methoxyquinoline-2-carbonyl)piperazin-1-yl]acetamide

N-benzyl-2-[4-(6-methoxyquinoline-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 30458840) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-benzyl-2-[4-(6-methoxyquinoline-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(6-methoxyquinoline-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID30458840
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-benzyl-2-[4-(6-methoxyquinoline-2-carbonyl)piperazin-1-yl]acetamide
SMILESCOc1ccc2nc(C(=O)N3CCN(CC(=O)NCc4ccccc4)CC3)ccc2c1
InChIInChI=1S/C24H26N4O3/c1-31-20-8-10-21-19(15-20)7-9-22(26-21)24(30)28-13-11-27(12-14-28)17-23(29)25-16-18-5-3-2-4-6-18/h2-10,15H,11-14,16-17H2,1H3,(H,25,29)
InChIKeyZLANPWZXKUHPCK-UHFFFAOYSA-N
XLogP2.32
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(benzylamino)-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 30940293
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 37375142
2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 8904372
N-[(4-methoxyphenyl)methyl]-2-(4-phenacylpiperazin-1-yl)acetamide;hydrochloride
CID 141035311
2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 35228408
N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18140436
N-benzyl-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29487815
(4-methoxypiperidin-1-yl)-(6-methoxyquinolin-2-yl)methanone
CID 56810636
methyl 3-[4-[2-(benzylamino)-2-oxoethyl]-1,4-diazepane-1-carbonyl]benzoate
CID 3853869
N-benzyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 51329271
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 27151351
[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-quinolin-2-ylmethanone
CID 30953204

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(6-methoxyquinoline-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(6-methoxyquinoline-2-carbonyl)piperazin-1-yl]acetamide (CID 30458840) is N-benzyl-2-[4-(6-methoxyquinoline-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(6-methoxyquinoline-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(6-methoxyquinoline-2-carbonyl)piperazin-1-yl]acetamide is COc1ccc2nc(C(=O)N3CCN(CC(=O)NCc4ccccc4)CC3)ccc2c1.
What is the InChIKey of N-benzyl-2-[4-(6-methoxyquinoline-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is ZLANPWZXKUHPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-31-20-8-10-21-19(15-20)7-9-22(26-21)24(30)28-13-11-27(12-14-28)17-23(29)25-16-18-5-3-2-4-6-18/h2-10,15H,11-14,16-17H2,1H3,(H,25,29).
What are the key properties of N-benzyl-2-[4-(6-methoxyquinoline-2-carbonyl)piperazin-1-yl]acetamide?
N-benzyl-2-[4-(6-methoxyquinoline-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 418.50 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(6-methoxyquinoline-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 30458840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).