6-chloro-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinolin-4-one

C17H20ClN3O2 — CID 100735726

IUPAC6-chloro-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinolin-4-one
SMILESCCN1CCN(C(=O)Cn2ccc(=O)c3cc(Cl)ccc32)CC1
InChIInChI=1S/C17H20ClN3O2/c1-2-19-7-9-20(10-8-19)17(23)12-21-6-5-16(22)14-11-13(18)3-4-15(14)21/h3-6,11H,2,7-10,12H2,1H3
InChIKeyCZXYVUYROASTNC-UHFFFAOYSA-N
MW333.82 g/mol
LogP1.82
Rot. Bonds3

About 6-chloro-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinolin-4-one

6-chloro-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinolin-4-one (PubChem CID 100735726) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 6-chloro-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinolin-4-one.

Molecular Properties

Compound Name6-chloro-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinolin-4-one
PubChem CID100735726
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name6-chloro-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinolin-4-one
SMILESCCN1CCN(C(=O)Cn2ccc(=O)c3cc(Cl)ccc32)CC1
InChIInChI=1S/C17H20ClN3O2/c1-2-19-7-9-20(10-8-19)17(23)12-21-6-5-16(22)14-11-13(18)3-4-15(14)21/h3-6,11H,2,7-10,12H2,1H3
InChIKeyCZXYVUYROASTNC-UHFFFAOYSA-N
XLogP1.82
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinolin-4-one
CID 100735436
6-chloro-1-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]quinolin-4-one
CID 100735956
1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5,7-dimethylquinolin-4-one
CID 100745064
6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinolin-4-one
CID 100742023
7-chloro-1-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]quinolin-4-one
CID 100739421
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-bromoquinolin-4-one
CID 100737310
1-[2-(azepan-1-yl)-2-oxoethyl]-6-fluoroquinolin-4-one
CID 100743617
2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 39036168
N-butyl-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 100734647
ethyl 1-[2-(6-methyl-4-oxoquinolin-1-yl)acetyl]piperidine-4-carboxylate
CID 100742059
1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methylquinolin-4-one
CID 100742188
2-(6-chloro-4-oxoquinolin-1-yl)-N-(2,4-dichlorophenyl)acetamide
CID 100735074

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinolin-4-one?
The IUPAC name of 6-chloro-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinolin-4-one (CID 100735726) is 6-chloro-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinolin-4-one.
What is the SMILES notation for 6-chloro-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinolin-4-one?
The canonical SMILES for 6-chloro-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinolin-4-one is CCN1CCN(C(=O)Cn2ccc(=O)c3cc(Cl)ccc32)CC1.
What is the InChIKey of 6-chloro-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinolin-4-one?
The InChIKey is CZXYVUYROASTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-2-19-7-9-20(10-8-19)17(23)12-21-6-5-16(22)14-11-13(18)3-4-15(14)21/h3-6,11H,2,7-10,12H2,1H3.
What are the key properties of 6-chloro-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinolin-4-one?
6-chloro-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinolin-4-one has a molecular weight of 333.82 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinolin-4-one is sourced from PubChem (CID 100735726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).