ethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)pyrazolidine-3-carboxylate

C20H28N4O3 — CID 75590255

IUPACethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)pyrazolidine-3-carboxylate
SMILESCCOC(=O)C1NNCC1C1CC(=O)Nc2c1ccc(N1CCCC1)c2C
InChIInChI=1S/C20H28N4O3/c1-3-27-20(26)19-15(11-21-23-19)14-10-17(25)22-18-12(2)16(7-6-13(14)18)24-8-4-5-9-24/h6-7,14-15,19,21,23H,3-5,8-11H2,1-2H3,(H,22,25)
InChIKeyNDRHCVMEYLJBMG-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.68
Rot. Bonds4

About ethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)pyrazolidine-3-carboxylate

ethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)pyrazolidine-3-carboxylate (PubChem CID 75590255) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is ethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)pyrazolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)pyrazolidine-3-carboxylate
PubChem CID75590255
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Nameethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)pyrazolidine-3-carboxylate
SMILESCCOC(=O)C1NNCC1C1CC(=O)Nc2c1ccc(N1CCCC1)c2C
InChIInChI=1S/C20H28N4O3/c1-3-27-20(26)19-15(11-21-23-19)14-10-17(25)22-18-12(2)16(7-6-13(14)18)24-8-4-5-9-24/h6-7,14-15,19,21,23H,3-5,8-11H2,1-2H3,(H,22,25)
InChIKeyNDRHCVMEYLJBMG-UHFFFAOYSA-N
XLogP1.68
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)pyrazolidine-3-carboxylate with MolForge

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Related Compounds

ethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate
CID 50958965
ethyl 4-(1-methyl-6-oxo-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)pyrazolidine-3-carboxylate
CID 137259126
methyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)benzoate
CID 169411206
8-methyl-4-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one
CID 171908857
8-methyl-4-(3-methyl-1,2-oxazol-5-yl)-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one
CID 169419497
ethyl (3S,4R)-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate
CID 11391819
ethyl 3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate
CID 105360130
ethyl (3S)-5-oxo-1-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylate
CID 94077638
ethyl 1-(3-ethyl-4-fluoro-2-methylphenyl)piperidine-4-carboxylate
CID 143566802
ethyl 3-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 78120546
ethyl 3-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360333
ethyl (3aR,4R,9bR)-7-chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylate
CID 42427353

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)pyrazolidine-3-carboxylate?
The IUPAC name of ethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)pyrazolidine-3-carboxylate (CID 75590255) is ethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)pyrazolidine-3-carboxylate.
What is the SMILES notation for ethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)pyrazolidine-3-carboxylate?
The canonical SMILES for ethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)pyrazolidine-3-carboxylate is CCOC(=O)C1NNCC1C1CC(=O)Nc2c1ccc(N1CCCC1)c2C.
What is the InChIKey of ethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)pyrazolidine-3-carboxylate?
The InChIKey is NDRHCVMEYLJBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-3-27-20(26)19-15(11-21-23-19)14-10-17(25)22-18-12(2)16(7-6-13(14)18)24-8-4-5-9-24/h6-7,14-15,19,21,23H,3-5,8-11H2,1-2H3,(H,22,25).
What are the key properties of ethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)pyrazolidine-3-carboxylate?
ethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)pyrazolidine-3-carboxylate has a molecular weight of 372.47 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)pyrazolidine-3-carboxylate is sourced from PubChem (CID 75590255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).