2-(4-ethylpiperazin-1-yl)-2-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide

C17H22N4O3 — CID 87039947

IUPAC2-(4-ethylpiperazin-1-yl)-2-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
SMILESCCN1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C17H22N4O3/c1-2-20-7-9-21(10-8-20)17(24)16(23)18-13-4-5-14-12(11-13)3-6-15(22)19-14/h4-5,11H,2-3,6-10H2,1H3,(H,18,23)(H,19,22)
InChIKeyLOLWWNMMQGJYOS-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.67
Rot. Bonds2

About 2-(4-ethylpiperazin-1-yl)-2-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide

2-(4-ethylpiperazin-1-yl)-2-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide (PubChem CID 87039947) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-2-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-2-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
PubChem CID87039947
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-(4-ethylpiperazin-1-yl)-2-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
SMILESCCN1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C17H22N4O3/c1-2-20-7-9-21(10-8-20)17(24)16(23)18-13-4-5-14-12(11-13)3-6-15(22)19-14/h4-5,11H,2-3,6-10H2,1H3,(H,18,23)(H,19,22)
InChIKeyLOLWWNMMQGJYOS-UHFFFAOYSA-N
XLogP0.67
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-(4-ethylpiperazin-1-yl)-2-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide with MolForge

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 37043367
2-(4-ethylpiperazin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide
CID 87039943
3-(ethylamino)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 62832872
3-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 12810798
2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 107903528
3-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 60837196
4-ethoxy-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 27652443
1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
CID 30375883
4-fluoro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571284
6-(4-ethylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 8512292
3-amino-2,2,3-trimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 65264946
6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 110800015

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-2-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-2-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide (CID 87039947) is 2-(4-ethylpiperazin-1-yl)-2-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-2-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-2-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide is CCN1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-2-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide?
The InChIKey is LOLWWNMMQGJYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-2-20-7-9-21(10-8-20)17(24)16(23)18-13-4-5-14-12(11-13)3-6-15(22)19-14/h4-5,11H,2-3,6-10H2,1H3,(H,18,23)(H,19,22).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-2-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide?
2-(4-ethylpiperazin-1-yl)-2-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide has a molecular weight of 330.39 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-2-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide is sourced from PubChem (CID 87039947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).