ethyl 4-(5-oxo-1-quinolin-8-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate

C21H24N4O4 — CID 113190556

IUPACethyl 4-(5-oxo-1-quinolin-8-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CC(=O)N(c3cccc4cccnc34)C2)CC1
InChIInChI=1S/C21H24N4O4/c1-2-29-21(28)24-11-9-23(10-12-24)20(27)16-13-18(26)25(14-16)17-7-3-5-15-6-4-8-22-19(15)17/h3-8,16H,2,9-14H2,1H3
InChIKeyKSFGRMMCURGHJR-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.89
Rot. Bonds3

About ethyl 4-(5-oxo-1-quinolin-8-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate

ethyl 4-(5-oxo-1-quinolin-8-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate (PubChem CID 113190556) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is ethyl 4-(5-oxo-1-quinolin-8-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-oxo-1-quinolin-8-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate
PubChem CID113190556
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Nameethyl 4-(5-oxo-1-quinolin-8-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CC(=O)N(c3cccc4cccnc34)C2)CC1
InChIInChI=1S/C21H24N4O4/c1-2-29-21(28)24-11-9-23(10-12-24)20(27)16-13-18(26)25(14-16)17-7-3-5-15-6-4-8-22-19(15)17/h3-8,16H,2,9-14H2,1H3
InChIKeyKSFGRMMCURGHJR-UHFFFAOYSA-N
XLogP1.89
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(3S)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 51935377
5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 168698201
ethyl 4-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 7374839
1-(2-methoxy-5-methylphenyl)-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55513636
N-(2-ethyl-6-methylphenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190574
(4S)-1-naphthalen-1-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9318939
N-(3,5-dimethylphenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190568
N-benzyl-N-ethyl-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190542
(4R)-1-(2-ethoxyphenyl)-4-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9254687
(4R)-4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 9415361
4-chloro-1-quinolin-8-ylpyrrolidin-2-one
CID 168689599
1-(2-ethoxyphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 119402096

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-oxo-1-quinolin-8-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(5-oxo-1-quinolin-8-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate (CID 113190556) is ethyl 4-(5-oxo-1-quinolin-8-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(5-oxo-1-quinolin-8-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(5-oxo-1-quinolin-8-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2CC(=O)N(c3cccc4cccnc34)C2)CC1.
What is the InChIKey of ethyl 4-(5-oxo-1-quinolin-8-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate?
The InChIKey is KSFGRMMCURGHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-2-29-21(28)24-11-9-23(10-12-24)20(27)16-13-18(26)25(14-16)17-7-3-5-15-6-4-8-22-19(15)17/h3-8,16H,2,9-14H2,1H3.
What are the key properties of ethyl 4-(5-oxo-1-quinolin-8-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate?
ethyl 4-(5-oxo-1-quinolin-8-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate has a molecular weight of 396.45 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-oxo-1-quinolin-8-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 113190556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).