(5-oxopyrrolidin-2-yl)methyl 7-chloroquinoline-2-carboxylate

C15H13ClN2O3 — CID 71859537

IUPAC(5-oxopyrrolidin-2-yl)methyl 7-chloroquinoline-2-carboxylate
SMILESO=C1CCC(COC(=O)c2ccc3ccc(Cl)cc3n2)N1
InChIInChI=1S/C15H13ClN2O3/c16-10-3-1-9-2-5-12(18-13(9)7-10)15(20)21-8-11-4-6-14(19)17-11/h1-3,5,7,11H,4,6,8H2,(H,17,19)
InChIKeyPUVQMHRUIUOPAZ-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.32
Rot. Bonds3

About (5-oxopyrrolidin-2-yl)methyl 7-chloroquinoline-2-carboxylate

(5-oxopyrrolidin-2-yl)methyl 7-chloroquinoline-2-carboxylate (PubChem CID 71859537) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is (5-oxopyrrolidin-2-yl)methyl 7-chloroquinoline-2-carboxylate.

Molecular Properties

Compound Name(5-oxopyrrolidin-2-yl)methyl 7-chloroquinoline-2-carboxylate
PubChem CID71859537
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name(5-oxopyrrolidin-2-yl)methyl 7-chloroquinoline-2-carboxylate
SMILESO=C1CCC(COC(=O)c2ccc3ccc(Cl)cc3n2)N1
InChIInChI=1S/C15H13ClN2O3/c16-10-3-1-9-2-5-12(18-13(9)7-10)15(20)21-8-11-4-6-14(19)17-11/h1-3,5,7,11H,4,6,8H2,(H,17,19)
InChIKeyPUVQMHRUIUOPAZ-UHFFFAOYSA-N
XLogP2.32
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-oxopyrrolidin-2-yl)methyl 7-chloroquinoline-2-carboxylate?
The IUPAC name of (5-oxopyrrolidin-2-yl)methyl 7-chloroquinoline-2-carboxylate (CID 71859537) is (5-oxopyrrolidin-2-yl)methyl 7-chloroquinoline-2-carboxylate.
What is the SMILES notation for (5-oxopyrrolidin-2-yl)methyl 7-chloroquinoline-2-carboxylate?
The canonical SMILES for (5-oxopyrrolidin-2-yl)methyl 7-chloroquinoline-2-carboxylate is O=C1CCC(COC(=O)c2ccc3ccc(Cl)cc3n2)N1.
What is the InChIKey of (5-oxopyrrolidin-2-yl)methyl 7-chloroquinoline-2-carboxylate?
The InChIKey is PUVQMHRUIUOPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-10-3-1-9-2-5-12(18-13(9)7-10)15(20)21-8-11-4-6-14(19)17-11/h1-3,5,7,11H,4,6,8H2,(H,17,19).
What are the key properties of (5-oxopyrrolidin-2-yl)methyl 7-chloroquinoline-2-carboxylate?
(5-oxopyrrolidin-2-yl)methyl 7-chloroquinoline-2-carboxylate has a molecular weight of 304.73 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxopyrrolidin-2-yl)methyl 7-chloroquinoline-2-carboxylate is sourced from PubChem (CID 71859537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).