N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide

C22H32N4O2 — CID 110303379

IUPACN-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
SMILESCCN1CCN(C(C)(C)CNC(=O)Cc2ccc3[nH]c(=O)c(C)cc3c2)CC1
InChIInChI=1S/C22H32N4O2/c1-5-25-8-10-26(11-9-25)22(3,4)15-23-20(27)14-17-6-7-19-18(13-17)12-16(2)21(28)24-19/h6-7,12-13H,5,8-11,14-15H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyGBSJDPGXTXERNT-UHFFFAOYSA-N
MW384.52 g/mol
LogP1.91
Rot. Bonds6

About N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide

N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide (PubChem CID 110303379) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
PubChem CID110303379
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
SMILESCCN1CCN(C(C)(C)CNC(=O)Cc2ccc3[nH]c(=O)c(C)cc3c2)CC1
InChIInChI=1S/C22H32N4O2/c1-5-25-8-10-26(11-9-25)22(3,4)15-23-20(27)14-17-6-7-19-18(13-17)12-16(2)21(28)24-19/h6-7,12-13H,5,8-11,14-15H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyGBSJDPGXTXERNT-UHFFFAOYSA-N
XLogP1.91
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide (CID 110303379) is N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide is CCN1CCN(C(C)(C)CNC(=O)Cc2ccc3[nH]c(=O)c(C)cc3c2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide?
The InChIKey is GBSJDPGXTXERNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-5-25-8-10-26(11-9-25)22(3,4)15-23-20(27)14-17-6-7-19-18(13-17)12-16(2)21(28)24-19/h6-7,12-13H,5,8-11,14-15H2,1-4H3,(H,23,27)(H,24,28).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide?
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide has a molecular weight of 384.52 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide is sourced from PubChem (CID 110303379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).