ethyl 5-chloro-2-(2-oxopyrrolidin-1-yl)-4-phenylquinoline-3-carboxylate

C22H19ClN2O3 — CID 150683426

IUPACethyl 5-chloro-2-(2-oxopyrrolidin-1-yl)-4-phenylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(N2CCCC2=O)nc2cccc(Cl)c2c1-c1ccccc1
InChIInChI=1S/C22H19ClN2O3/c1-2-28-22(27)20-18(14-8-4-3-5-9-14)19-15(23)10-6-11-16(19)24-21(20)25-13-7-12-17(25)26/h3-6,8-11H,2,7,12-13H2,1H3
InChIKeyJIIVNCQFQXEIQL-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.86
Rot. Bonds4

About ethyl 5-chloro-2-(2-oxopyrrolidin-1-yl)-4-phenylquinoline-3-carboxylate

ethyl 5-chloro-2-(2-oxopyrrolidin-1-yl)-4-phenylquinoline-3-carboxylate (PubChem CID 150683426) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is ethyl 5-chloro-2-(2-oxopyrrolidin-1-yl)-4-phenylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-2-(2-oxopyrrolidin-1-yl)-4-phenylquinoline-3-carboxylate
PubChem CID150683426
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Nameethyl 5-chloro-2-(2-oxopyrrolidin-1-yl)-4-phenylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(N2CCCC2=O)nc2cccc(Cl)c2c1-c1ccccc1
InChIInChI=1S/C22H19ClN2O3/c1-2-28-22(27)20-18(14-8-4-3-5-9-14)19-15(23)10-6-11-16(19)24-21(20)25-13-7-12-17(25)26/h3-6,8-11H,2,7,12-13H2,1H3
InChIKeyJIIVNCQFQXEIQL-UHFFFAOYSA-N
XLogP4.86
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-2-(2-oxopyrrolidin-1-yl)-4-phenylquinoline-3-carboxylate?
The IUPAC name of ethyl 5-chloro-2-(2-oxopyrrolidin-1-yl)-4-phenylquinoline-3-carboxylate (CID 150683426) is ethyl 5-chloro-2-(2-oxopyrrolidin-1-yl)-4-phenylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 5-chloro-2-(2-oxopyrrolidin-1-yl)-4-phenylquinoline-3-carboxylate?
The canonical SMILES for ethyl 5-chloro-2-(2-oxopyrrolidin-1-yl)-4-phenylquinoline-3-carboxylate is CCOC(=O)c1c(N2CCCC2=O)nc2cccc(Cl)c2c1-c1ccccc1.
What is the InChIKey of ethyl 5-chloro-2-(2-oxopyrrolidin-1-yl)-4-phenylquinoline-3-carboxylate?
The InChIKey is JIIVNCQFQXEIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-2-28-22(27)20-18(14-8-4-3-5-9-14)19-15(23)10-6-11-16(19)24-21(20)25-13-7-12-17(25)26/h3-6,8-11H,2,7,12-13H2,1H3.
What are the key properties of ethyl 5-chloro-2-(2-oxopyrrolidin-1-yl)-4-phenylquinoline-3-carboxylate?
ethyl 5-chloro-2-(2-oxopyrrolidin-1-yl)-4-phenylquinoline-3-carboxylate has a molecular weight of 394.86 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-2-(2-oxopyrrolidin-1-yl)-4-phenylquinoline-3-carboxylate is sourced from PubChem (CID 150683426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).