ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate

C17H19N3O3 — CID 110694883

IUPACethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccnc3ccccc23)CC1
InChIInChI=1S/C17H19N3O3/c1-2-23-17(22)20-11-9-19(10-12-20)16(21)14-7-8-18-15-6-4-3-5-13(14)15/h3-8H,2,9-12H2,1H3
InChIKeyJXLPARQEXOWOMO-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.15
Rot. Bonds2

About ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate

ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate (PubChem CID 110694883) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate
PubChem CID110694883
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Nameethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccnc3ccccc23)CC1
InChIInChI=1S/C17H19N3O3/c1-2-23-17(22)20-11-9-19(10-12-20)16(21)14-7-8-18-15-6-4-3-5-13(14)15/h3-8H,2,9-12H2,1H3
InChIKeyJXLPARQEXOWOMO-UHFFFAOYSA-N
XLogP2.15
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(2-methylbenzoyl)piperazine-1-carboxylate
CID 969363
[4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone
CID 110694885
ethyl 4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazine-1-carboxylate
CID 35508684
ethyl 4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazine-1-carboxylate
CID 84574983
quinolin-4-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
CID 146093141
ethyl 4-[4-(2-quinolin-4-ylsulfanylacetyl)phenyl]piperazine-1-carboxylate
CID 15458327
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-quinolin-4-ylmethanone
CID 154566115
2-ethyl-9-(quinoline-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72904189
2-[3-[4-(quinoline-4-carbonyl)piperazin-1-yl]phenyl]acetic acid
CID 22399354
[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]-quinolin-4-ylmethanone
CID 90683529
ethyl 4-[[N'-(quinolin-4-ylmethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111751902

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate (CID 110694883) is ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccnc3ccccc23)CC1.
What is the InChIKey of ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate?
The InChIKey is JXLPARQEXOWOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-2-23-17(22)20-11-9-19(10-12-20)16(21)14-7-8-18-15-6-4-3-5-13(14)15/h3-8H,2,9-12H2,1H3.
What are the key properties of ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate?
ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate has a molecular weight of 313.36 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 110694883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).