N,N-dimethyl-2-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]acetamide

C25H28N4O2 — CID 46653075

IUPACN,N-dimethyl-2-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]acetamide
SMILESCc1ccc(-c2cc(C(=O)N3CCN(CC(=O)N(C)C)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C25H28N4O2/c1-18-8-10-19(11-9-18)23-16-21(20-6-4-5-7-22(20)26-23)25(31)29-14-12-28(13-15-29)17-24(30)27(2)3/h4-11,16H,12-15,17H2,1-3H3
InChIKeyBSNDVJVUZKOJKJ-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.06
Rot. Bonds4

About N,N-dimethyl-2-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]acetamide

N,N-dimethyl-2-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]acetamide (PubChem CID 46653075) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]acetamide
PubChem CID46653075
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN,N-dimethyl-2-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]acetamide
SMILESCc1ccc(-c2cc(C(=O)N3CCN(CC(=O)N(C)C)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C25H28N4O2/c1-18-8-10-19(11-9-18)23-16-21(20-6-4-5-7-22(20)26-23)25(31)29-14-12-28(13-15-29)17-24(30)27(2)3/h4-11,16H,12-15,17H2,1-3H3
InChIKeyBSNDVJVUZKOJKJ-UHFFFAOYSA-N
XLogP3.06
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-2-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 38417891
(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 4202012
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 39979125
N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 78779468
[2-(4-phenylphenyl)quinolin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 175976481
[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 4586470
2-[4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 137159615
2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
CID 39488256
2-[4-[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]piperazin-1-yl]acetamide
CID 175931035
[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 4259485
[2-(4-propylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 2965693

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]acetamide (CID 46653075) is N,N-dimethyl-2-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]acetamide is Cc1ccc(-c2cc(C(=O)N3CCN(CC(=O)N(C)C)CC3)c3ccccc3n2)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]acetamide?
The InChIKey is BSNDVJVUZKOJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-18-8-10-19(11-9-18)23-16-21(20-6-4-5-7-22(20)26-23)25(31)29-14-12-28(13-15-29)17-24(30)27(2)3/h4-11,16H,12-15,17H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]acetamide?
N,N-dimethyl-2-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]acetamide has a molecular weight of 416.53 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 46653075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).