N-butan-2-yl-2-[4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazin-1-yl]acetamide

C28H34N4O2 — CID 112814409

IUPACN-butan-2-yl-2-[4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)CC1
InChIInChI=1S/C28H34N4O2/c1-4-20(2)29-26(33)19-31-14-16-32(17-15-31)27(34)18-24-21(3)30-25-13-9-8-12-23(25)28(24)22-10-6-5-7-11-22/h5-13,20H,4,14-19H2,1-3H3,(H,29,33)
InChIKeyADVANPMBSYXOAY-UHFFFAOYSA-N
MW458.61 g/mol
LogP3.81
Rot. Bonds7

About N-butan-2-yl-2-[4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazin-1-yl]acetamide

N-butan-2-yl-2-[4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazin-1-yl]acetamide (PubChem CID 112814409) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazin-1-yl]acetamide
PubChem CID112814409
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC NameN-butan-2-yl-2-[4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)CC1
InChIInChI=1S/C28H34N4O2/c1-4-20(2)29-26(33)19-31-14-16-32(17-15-31)27(34)18-24-21(3)30-25-13-9-8-12-23(25)28(24)22-10-6-5-7-11-22/h5-13,20H,4,14-19H2,1-3H3,(H,29,33)
InChIKeyADVANPMBSYXOAY-UHFFFAOYSA-N
XLogP3.81
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156766
1-(4-acetylpiperazin-1-yl)-2-(2-methyl-4-phenylquinolin-3-yl)ethanone
CID 112762995
N,N-dimethyl-4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazine-1-carboxamide
CID 86981009
N-(1-hydroxypropan-2-yl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 110887326
2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide
CID 112759088
N-butan-2-yl-3-[[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]methyl]benzamide
CID 112835490
N-butan-2-yl-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 55830035
methyl 3-methyl-2-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]pentanoate
CID 112791596
N-butan-2-yl-2-[4-[2-(2-oxoquinoxalin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 55563997
N-butan-2-yl-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetamide
CID 134043706
N-butan-2-yl-2-[4-[3-(5-phenylfuran-2-yl)propanoyl]piperazin-1-yl]acetamide
CID 134043788
N-butan-2-yl-2-[4-(2,4-diphenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide
CID 55563907

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazin-1-yl]acetamide (CID 112814409) is N-butan-2-yl-2-[4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazin-1-yl]acetamide is CCC(C)NC(=O)CN1CCN(C(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)CC1.
What is the InChIKey of N-butan-2-yl-2-[4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazin-1-yl]acetamide?
The InChIKey is ADVANPMBSYXOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-4-20(2)29-26(33)19-31-14-16-32(17-15-31)27(34)18-24-21(3)30-25-13-9-8-12-23(25)28(24)22-10-6-5-7-11-22/h5-13,20H,4,14-19H2,1-3H3,(H,29,33).
What are the key properties of N-butan-2-yl-2-[4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazin-1-yl]acetamide?
N-butan-2-yl-2-[4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazin-1-yl]acetamide has a molecular weight of 458.61 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 112814409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).