1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5,7-dimethylquinolin-4-one

C19H25N3O2 — CID 100745064

IUPAC1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5,7-dimethylquinolin-4-one
SMILESCCN1CCN(C(=O)Cn2ccc(=O)c3c(C)cc(C)cc32)CC1
InChIInChI=1S/C19H25N3O2/c1-4-20-7-9-21(10-8-20)18(24)13-22-6-5-17(23)19-15(3)11-14(2)12-16(19)22/h5-6,11-12H,4,7-10,13H2,1-3H3
InChIKeyZNMOFPCYZQHOHW-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.78
Rot. Bonds3

About 1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5,7-dimethylquinolin-4-one

1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5,7-dimethylquinolin-4-one (PubChem CID 100745064) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5,7-dimethylquinolin-4-one.

Molecular Properties

Compound Name1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5,7-dimethylquinolin-4-one
PubChem CID100745064
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5,7-dimethylquinolin-4-one
SMILESCCN1CCN(C(=O)Cn2ccc(=O)c3c(C)cc(C)cc32)CC1
InChIInChI=1S/C19H25N3O2/c1-4-20-7-9-21(10-8-20)18(24)13-22-6-5-17(23)19-15(3)11-14(2)12-16(19)22/h5-6,11-12H,4,7-10,13H2,1-3H3
InChIKeyZNMOFPCYZQHOHW-UHFFFAOYSA-N
XLogP1.78
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinolin-4-one
CID 100744816
6-chloro-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinolin-4-one
CID 100735726
N-tert-butyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide
CID 100744049
N-benzyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-methylacetamide
CID 100744798
2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(4-fluorophenyl)acetamide
CID 100744381
6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinolin-4-one
CID 100742023
2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 100744235
2-(6-methylindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 116546775
1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methylquinolin-4-one
CID 100742188
1-[2-(5-methylindol-1-yl)acetyl]piperidin-4-one
CID 63555836
ethyl 1-[2-(6-methyl-4-oxoquinolin-1-yl)acetyl]piperidine-4-carboxylate
CID 100742059
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-bromoquinolin-4-one
CID 100737310

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5,7-dimethylquinolin-4-one?
The IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5,7-dimethylquinolin-4-one (CID 100745064) is 1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5,7-dimethylquinolin-4-one.
What is the SMILES notation for 1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5,7-dimethylquinolin-4-one?
The canonical SMILES for 1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5,7-dimethylquinolin-4-one is CCN1CCN(C(=O)Cn2ccc(=O)c3c(C)cc(C)cc32)CC1.
What is the InChIKey of 1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5,7-dimethylquinolin-4-one?
The InChIKey is ZNMOFPCYZQHOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-4-20-7-9-21(10-8-20)18(24)13-22-6-5-17(23)19-15(3)11-14(2)12-16(19)22/h5-6,11-12H,4,7-10,13H2,1-3H3.
What are the key properties of 1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5,7-dimethylquinolin-4-one?
1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5,7-dimethylquinolin-4-one has a molecular weight of 327.43 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5,7-dimethylquinolin-4-one is sourced from PubChem (CID 100745064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).