ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate;hydrochloride

C18H24ClN3O4 — CID 13136739

IUPACethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate;hydrochloride
SMILESCCOC(=O)N1CCN(CC(=O)c2ccc3c(c2)CCC(=O)N3)CC1.Cl
InChIInChI=1S/C18H23N3O4.ClH/c1-2-25-18(24)21-9-7-20(8-10-21)12-16(22)14-3-5-15-13(11-14)4-6-17(23)19-15;/h3,5,11H,2,4,6-10,12H2,1H3,(H,19,23);1H
InChIKeyPFWYWYNSUBCCNB-UHFFFAOYSA-N
MW381.86 g/mol
LogP1.95
Rot. Bonds4

About ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate;hydrochloride

ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate;hydrochloride (PubChem CID 13136739) has the molecular formula C18H24ClN3O4 and a molecular weight of 381.86 g/mol. Its IUPAC name is ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate;hydrochloride
PubChem CID13136739
Molecular FormulaC18H24ClN3O4
Molecular Weight381.86 g/mol
Exact Mass381.15
IUPAC Nameethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate;hydrochloride
SMILESCCOC(=O)N1CCN(CC(=O)c2ccc3c(c2)CCC(=O)N3)CC1.Cl
InChIInChI=1S/C18H23N3O4.ClH/c1-2-25-18(24)21-9-7-20(8-10-21)12-16(22)14-3-5-15-13(11-14)4-6-17(23)19-15;/h3,5,11H,2,4,6-10,12H2,1H3,(H,19,23);1H
InChIKeyPFWYWYNSUBCCNB-UHFFFAOYSA-N
XLogP1.95
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate;hydrochloride (CID 13136739) is ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate;hydrochloride is CCOC(=O)N1CCN(CC(=O)c2ccc3c(c2)CCC(=O)N3)CC1.Cl.
What is the InChIKey of ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate;hydrochloride?
The InChIKey is PFWYWYNSUBCCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4.ClH/c1-2-25-18(24)21-9-7-20(8-10-21)12-16(22)14-3-5-15-13(11-14)4-6-17(23)19-15;/h3,5,11H,2,4,6-10,12H2,1H3,(H,19,23);1H.
What are the key properties of ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate;hydrochloride?
ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate;hydrochloride has a molecular weight of 381.86 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-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 13136739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).