ethyl 4-[2-oxo-3-(quinolin-5-ylmethyl)imidazolidin-1-yl]benzoate

C22H21N3O3 — CID 141319039

IUPACethyl 4-[2-oxo-3-(quinolin-5-ylmethyl)imidazolidin-1-yl]benzoate
SMILESCCOC(=O)c1ccc(N2CCN(Cc3cccc4ncccc34)C2=O)cc1
InChIInChI=1S/C22H21N3O3/c1-2-28-21(26)16-8-10-18(11-9-16)25-14-13-24(22(25)27)15-17-5-3-7-20-19(17)6-4-12-23-20/h3-12H,2,13-15H2,1H3
InChIKeyXRJOTAYZXUFOBF-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.85
Rot. Bonds5

About ethyl 4-[2-oxo-3-(quinolin-5-ylmethyl)imidazolidin-1-yl]benzoate

ethyl 4-[2-oxo-3-(quinolin-5-ylmethyl)imidazolidin-1-yl]benzoate (PubChem CID 141319039) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is ethyl 4-[2-oxo-3-(quinolin-5-ylmethyl)imidazolidin-1-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-oxo-3-(quinolin-5-ylmethyl)imidazolidin-1-yl]benzoate
PubChem CID141319039
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Nameethyl 4-[2-oxo-3-(quinolin-5-ylmethyl)imidazolidin-1-yl]benzoate
SMILESCCOC(=O)c1ccc(N2CCN(Cc3cccc4ncccc34)C2=O)cc1
InChIInChI=1S/C22H21N3O3/c1-2-28-21(26)16-8-10-18(11-9-16)25-14-13-24(22(25)27)15-17-5-3-7-20-19(17)6-4-12-23-20/h3-12H,2,13-15H2,1H3
InChIKeyXRJOTAYZXUFOBF-UHFFFAOYSA-N
XLogP3.85
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate
CID 10017665
ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 744635
ethyl 4-(imidazo[4,5-b]pyridin-3-ylmethyl)benzoate
CID 14369782
ethyl 4-(2-oxoazepan-1-yl)benzoate
CID 168817150
ethyl 1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxylate
CID 79232010
ethyl 2-[2-(quinolin-4-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxylate
CID 155683644
ethane;5-ethylquinoline
CID 143401043
1-amino-3-(quinolin-4-ylmethyl)-1,3-diazinan-2-one
CID 104601300
ethyl 4-(3-methylimidazo[4,5-b]pyridin-2-yl)benzoate
CID 170985522
ethyl 4-[(3S,5R)-3,5-dimethyl-4-pyrimidin-2-ylpiperazin-1-yl]benzoate
CID 54167175
ethyl 4-[4,8,11-tris(4-ethoxycarbonylphenyl)-1,4,8,11-tetrazacyclotetradec-1-yl]benzoate
CID 134540950
ethyl 2-[3-(8-amino-3-methylquinolin-4-yl)-2-oxoimidazolidin-1-yl]acetate
CID 139782512

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-oxo-3-(quinolin-5-ylmethyl)imidazolidin-1-yl]benzoate?
The IUPAC name of ethyl 4-[2-oxo-3-(quinolin-5-ylmethyl)imidazolidin-1-yl]benzoate (CID 141319039) is ethyl 4-[2-oxo-3-(quinolin-5-ylmethyl)imidazolidin-1-yl]benzoate.
What is the SMILES notation for ethyl 4-[2-oxo-3-(quinolin-5-ylmethyl)imidazolidin-1-yl]benzoate?
The canonical SMILES for ethyl 4-[2-oxo-3-(quinolin-5-ylmethyl)imidazolidin-1-yl]benzoate is CCOC(=O)c1ccc(N2CCN(Cc3cccc4ncccc34)C2=O)cc1.
What is the InChIKey of ethyl 4-[2-oxo-3-(quinolin-5-ylmethyl)imidazolidin-1-yl]benzoate?
The InChIKey is XRJOTAYZXUFOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-2-28-21(26)16-8-10-18(11-9-16)25-14-13-24(22(25)27)15-17-5-3-7-20-19(17)6-4-12-23-20/h3-12H,2,13-15H2,1H3.
What are the key properties of ethyl 4-[2-oxo-3-(quinolin-5-ylmethyl)imidazolidin-1-yl]benzoate?
ethyl 4-[2-oxo-3-(quinolin-5-ylmethyl)imidazolidin-1-yl]benzoate has a molecular weight of 375.43 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-oxo-3-(quinolin-5-ylmethyl)imidazolidin-1-yl]benzoate is sourced from PubChem (CID 141319039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).