N,N-dimethyl-4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazine-1-carboxamide

C25H28N4O2 — CID 86981009

IUPACN,N-dimethyl-4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazine-1-carboxamide
SMILESCc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C25H28N4O2/c1-18-21(17-23(30)28-13-15-29(16-14-28)25(31)27(2)3)24(19-9-5-4-6-10-19)20-11-7-8-12-22(20)26-18/h4-12H,13-17H2,1-3H3
InChIKeyJEHDJQPNIUXWID-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.58
Rot. Bonds3

About N,N-dimethyl-4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazine-1-carboxamide

N,N-dimethyl-4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazine-1-carboxamide (PubChem CID 86981009) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazine-1-carboxamide
PubChem CID86981009
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN,N-dimethyl-4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazine-1-carboxamide
SMILESCc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C25H28N4O2/c1-18-21(17-23(30)28-13-15-29(16-14-28)25(31)27(2)3)24(19-9-5-4-6-10-19)20-11-7-8-12-22(20)26-18/h4-12H,13-17H2,1-3H3
InChIKeyJEHDJQPNIUXWID-UHFFFAOYSA-N
XLogP3.58
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(2-methyl-4-phenylquinolin-3-yl)ethanone
CID 112762995
N-butan-2-yl-2-[4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazin-1-yl]acetamide
CID 112814409
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methyl-4-phenylquinolin-3-yl)ethanone
CID 112767911
2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide
CID 112759088
N-(1-hydroxypropan-2-yl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 110887326
[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate
CID 18273294
methylamino 2-(2-methyl-4-phenylquinolin-3-yl)acetate
CID 146289922
2-(2-methyl-4-phenylquinolin-3-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 112794963
2-[4-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156766
1-(1,4-diazepan-1-yl)-2-(2,4-dimethylquinolin-3-yl)ethanone
CID 119415901
2,5-dimethyl-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 158782475
N-(3-hydroxypropyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 110878183

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazine-1-carboxamide (CID 86981009) is N,N-dimethyl-4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazine-1-carboxamide is Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazine-1-carboxamide?
The InChIKey is JEHDJQPNIUXWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-18-21(17-23(30)28-13-15-29(16-14-28)25(31)27(2)3)24(19-9-5-4-6-10-19)20-11-7-8-12-22(20)26-18/h4-12H,13-17H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazine-1-carboxamide?
N,N-dimethyl-4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazine-1-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazine-1-carboxamide is sourced from PubChem (CID 86981009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).