5-amino-3-(4-ethylpiperazine-1-carbonyl)-1-methylquinolin-4-one

C17H22N4O2 — CID 94947331

IUPAC5-amino-3-(4-ethylpiperazine-1-carbonyl)-1-methylquinolin-4-one
SMILESCCN1CCN(C(=O)c2cn(C)c3cccc(N)c3c2=O)CC1
InChIInChI=1S/C17H22N4O2/c1-3-20-7-9-21(10-8-20)17(23)12-11-19(2)14-6-4-5-13(18)15(14)16(12)22/h4-6,11H,3,7-10,18H2,1-2H3
InChIKeyXVQXDCPELWMGBO-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.90
Rot. Bonds2

About 5-amino-3-(4-ethylpiperazine-1-carbonyl)-1-methylquinolin-4-one

5-amino-3-(4-ethylpiperazine-1-carbonyl)-1-methylquinolin-4-one (PubChem CID 94947331) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-amino-3-(4-ethylpiperazine-1-carbonyl)-1-methylquinolin-4-one.

Molecular Properties

Compound Name5-amino-3-(4-ethylpiperazine-1-carbonyl)-1-methylquinolin-4-one
PubChem CID94947331
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name5-amino-3-(4-ethylpiperazine-1-carbonyl)-1-methylquinolin-4-one
SMILESCCN1CCN(C(=O)c2cn(C)c3cccc(N)c3c2=O)CC1
InChIInChI=1S/C17H22N4O2/c1-3-20-7-9-21(10-8-20)17(23)12-11-19(2)14-6-4-5-13(18)15(14)16(12)22/h4-6,11H,3,7-10,18H2,1-2H3
InChIKeyXVQXDCPELWMGBO-UHFFFAOYSA-N
XLogP0.90
TPSA71.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-butyl-1-methyl-4-oxoquinoline-3-carboxamide
CID 82212638
3-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one
CID 110692777
(2-amino-6-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 16792662
5-amino-N-(3-hydroxyphenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 94947367
[2-(aminomethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 82546965
(5-amino-2,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 102704825
(4-amino-6-methyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
CID 81236941
3-(4-benzylpiperazine-1-carbonyl)-6-ethoxy-1-methylquinolin-4-one
CID 30133996
(5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 16783879
(4-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 57431451
(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 61289642
6-ethoxy-1-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one
CID 30133993

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-ethylpiperazine-1-carbonyl)-1-methylquinolin-4-one?
The IUPAC name of 5-amino-3-(4-ethylpiperazine-1-carbonyl)-1-methylquinolin-4-one (CID 94947331) is 5-amino-3-(4-ethylpiperazine-1-carbonyl)-1-methylquinolin-4-one.
What is the SMILES notation for 5-amino-3-(4-ethylpiperazine-1-carbonyl)-1-methylquinolin-4-one?
The canonical SMILES for 5-amino-3-(4-ethylpiperazine-1-carbonyl)-1-methylquinolin-4-one is CCN1CCN(C(=O)c2cn(C)c3cccc(N)c3c2=O)CC1.
What is the InChIKey of 5-amino-3-(4-ethylpiperazine-1-carbonyl)-1-methylquinolin-4-one?
The InChIKey is XVQXDCPELWMGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-20-7-9-21(10-8-20)17(23)12-11-19(2)14-6-4-5-13(18)15(14)16(12)22/h4-6,11H,3,7-10,18H2,1-2H3.
What are the key properties of 5-amino-3-(4-ethylpiperazine-1-carbonyl)-1-methylquinolin-4-one?
5-amino-3-(4-ethylpiperazine-1-carbonyl)-1-methylquinolin-4-one has a molecular weight of 314.39 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-ethylpiperazine-1-carbonyl)-1-methylquinolin-4-one is sourced from PubChem (CID 94947331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).