ethyl 4-[3-oxo-3-(quinolin-8-ylamino)propanoyl]piperazine-1-carboxylate

C19H22N4O4 — CID 108950376

IUPACethyl 4-[3-oxo-3-(quinolin-8-ylamino)propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CC(=O)Nc2cccc3cccnc23)CC1
InChIInChI=1S/C19H22N4O4/c1-2-27-19(26)23-11-9-22(10-12-23)17(25)13-16(24)21-15-7-3-5-14-6-4-8-20-18(14)15/h3-8H,2,9-13H2,1H3,(H,21,24)
InChIKeyIDHLFRJPZKPEEA-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.86
Rot. Bonds4

About ethyl 4-[3-oxo-3-(quinolin-8-ylamino)propanoyl]piperazine-1-carboxylate

ethyl 4-[3-oxo-3-(quinolin-8-ylamino)propanoyl]piperazine-1-carboxylate (PubChem CID 108950376) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is ethyl 4-[3-oxo-3-(quinolin-8-ylamino)propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-oxo-3-(quinolin-8-ylamino)propanoyl]piperazine-1-carboxylate
PubChem CID108950376
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Nameethyl 4-[3-oxo-3-(quinolin-8-ylamino)propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CC(=O)Nc2cccc3cccnc23)CC1
InChIInChI=1S/C19H22N4O4/c1-2-27-19(26)23-11-9-22(10-12-23)17(25)13-16(24)21-15-7-3-5-14-6-4-8-20-18(14)15/h3-8H,2,9-13H2,1H3,(H,21,24)
InChIKeyIDHLFRJPZKPEEA-UHFFFAOYSA-N
XLogP1.86
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[2-(quinolin-8-ylamino)acetyl]piperazine-1-carboxylate
CID 109003913
ethyl 4-[3-(2,3-dimethylanilino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108950321
ethyl 4-[3-(2-ethoxyanilino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108950350
ethyl 2-oxo-2-(quinolin-8-ylamino)acetate
CID 10421911
3-(2-ethylpiperidin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide
CID 108952272
N-quinolin-8-ylhex-3-enamide
CID 151663814
2-(2-methoxyethylamino)-N-quinolin-8-ylacetamide
CID 79282594
4-amino-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pentanamide;dihydrochloride
CID 120565209
2-(4-ethoxyanilino)-N-quinolin-8-ylacetamide
CID 109009200
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
ethyl 4-[3-[(5-hydroxynaphthalen-2-yl)amino]-3-oxopropanoyl]piperazine-1-carboxylate
CID 22184957
ethyl 4-[(8-hydroxyquinolin-7-yl)methyl]piperazine-1-carboxylate
CID 3464193

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-oxo-3-(quinolin-8-ylamino)propanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-oxo-3-(quinolin-8-ylamino)propanoyl]piperazine-1-carboxylate (CID 108950376) is ethyl 4-[3-oxo-3-(quinolin-8-ylamino)propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-oxo-3-(quinolin-8-ylamino)propanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-oxo-3-(quinolin-8-ylamino)propanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CC(=O)Nc2cccc3cccnc23)CC1.
What is the InChIKey of ethyl 4-[3-oxo-3-(quinolin-8-ylamino)propanoyl]piperazine-1-carboxylate?
The InChIKey is IDHLFRJPZKPEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-2-27-19(26)23-11-9-22(10-12-23)17(25)13-16(24)21-15-7-3-5-14-6-4-8-20-18(14)15/h3-8H,2,9-13H2,1H3,(H,21,24).
What are the key properties of ethyl 4-[3-oxo-3-(quinolin-8-ylamino)propanoyl]piperazine-1-carboxylate?
ethyl 4-[3-oxo-3-(quinolin-8-ylamino)propanoyl]piperazine-1-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-oxo-3-(quinolin-8-ylamino)propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 108950376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).