2-[4-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide

C22H30N4O2 — CID 18156766

IUPAC2-[4-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)N1CCN(CC(=O)NC(C)C)CC1
InChIInChI=1S/C22H30N4O2/c1-15(2)23-21(27)14-25-9-11-26(12-10-25)22(28)13-19-16(3)18-7-5-6-8-20(18)24-17(19)4/h5-8,15H,9-14H2,1-4H3,(H,23,27)
InChIKeyMPGYHFIPUVGTJA-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.06
Rot. Bonds5

About 2-[4-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 18156766) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[4-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID18156766
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name2-[4-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)N1CCN(CC(=O)NC(C)C)CC1
InChIInChI=1S/C22H30N4O2/c1-15(2)23-21(27)14-25-9-11-26(12-10-25)22(28)13-19-16(3)18-7-5-6-8-20(18)24-17(19)4/h5-8,15H,9-14H2,1-4H3,(H,23,27)
InChIKeyMPGYHFIPUVGTJA-UHFFFAOYSA-N
XLogP2.06
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 18156766) is 2-[4-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide is Cc1nc2ccccc2c(C)c1CC(=O)N1CCN(CC(=O)NC(C)C)CC1.
What is the InChIKey of 2-[4-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is MPGYHFIPUVGTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-15(2)23-21(27)14-25-9-11-26(12-10-25)22(28)13-19-16(3)18-7-5-6-8-20(18)24-17(19)4/h5-8,15H,9-14H2,1-4H3,(H,23,27).
What are the key properties of 2-[4-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 382.51 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 18156766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).