ethyl 4-[2-(quinolin-8-ylamino)acetyl]piperazine-1-carboxylate

C18H22N4O3 — CID 109003913

IUPACethyl 4-[2-(quinolin-8-ylamino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNc2cccc3cccnc23)CC1
InChIInChI=1S/C18H22N4O3/c1-2-25-18(24)22-11-9-21(10-12-22)16(23)13-20-15-7-3-5-14-6-4-8-19-17(14)15/h3-8,20H,2,9-13H2,1H3
InChIKeyLLOQKEXXVAHFDZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.95
Rot. Bonds4

About ethyl 4-[2-(quinolin-8-ylamino)acetyl]piperazine-1-carboxylate

ethyl 4-[2-(quinolin-8-ylamino)acetyl]piperazine-1-carboxylate (PubChem CID 109003913) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is ethyl 4-[2-(quinolin-8-ylamino)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(quinolin-8-ylamino)acetyl]piperazine-1-carboxylate
PubChem CID109003913
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Nameethyl 4-[2-(quinolin-8-ylamino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNc2cccc3cccnc23)CC1
InChIInChI=1S/C18H22N4O3/c1-2-25-18(24)22-11-9-21(10-12-22)16(23)13-20-15-7-3-5-14-6-4-8-19-17(14)15/h3-8,20H,2,9-13H2,1H3
InChIKeyLLOQKEXXVAHFDZ-UHFFFAOYSA-N
XLogP1.95
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[3-oxo-3-(quinolin-8-ylamino)propanoyl]piperazine-1-carboxylate
CID 108950376
ethyl 4-[2-(2-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 109003881
ethyl 4-[2-(2-fluoroanilino)acetyl]piperazine-1-carboxylate
CID 109003873
1-(4-benzylpiperidin-1-yl)-2-(quinolin-8-ylamino)ethanone
CID 109006353
N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)acetamide
CID 109008069
ethyl 4-[2-(3-methoxy-2-methylsulfonylanilino)acetyl]piperazine-1-carboxylate
CID 22307359
ethyl 4-[(8-hydroxyquinolin-7-yl)methyl]piperazine-1-carboxylate
CID 3464193
ethyl 2-oxo-2-(quinolin-8-ylamino)acetate
CID 10421911
carbamoyl 2-(quinolin-8-ylamino)acetate
CID 139238226
ethyl 4-[2-(2-ethyl-6-methylanilino)acetyl]piperazine-1-carboxylate
CID 109003865
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(quinolin-8-ylamino)propan-1-one
CID 109029505
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(quinolin-8-ylamino)acetamide
CID 109010669

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(quinolin-8-ylamino)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(quinolin-8-ylamino)acetyl]piperazine-1-carboxylate (CID 109003913) is ethyl 4-[2-(quinolin-8-ylamino)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(quinolin-8-ylamino)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(quinolin-8-ylamino)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CNc2cccc3cccnc23)CC1.
What is the InChIKey of ethyl 4-[2-(quinolin-8-ylamino)acetyl]piperazine-1-carboxylate?
The InChIKey is LLOQKEXXVAHFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-2-25-18(24)22-11-9-21(10-12-22)16(23)13-20-15-7-3-5-14-6-4-8-19-17(14)15/h3-8,20H,2,9-13H2,1H3.
What are the key properties of ethyl 4-[2-(quinolin-8-ylamino)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(quinolin-8-ylamino)acetyl]piperazine-1-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(quinolin-8-ylamino)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 109003913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).