(2-chloroquinolin-3-yl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate

C21H17ClN2O3 — CID 9133574

IUPAC(2-chloroquinolin-3-yl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
SMILESO=C(OCc1cc2ccccc2nc1Cl)c1ccccc1N1CCCC1=O
InChIInChI=1S/C21H17ClN2O3/c22-20-15(12-14-6-1-3-8-17(14)23-20)13-27-21(26)16-7-2-4-9-18(16)24-11-5-10-19(24)25/h1-4,6-9,12H,5,10-11,13H2
InChIKeyISZXINWDIDFSGR-UHFFFAOYSA-N
MW380.83 g/mol
LogP4.37
Rot. Bonds4

About (2-chloroquinolin-3-yl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate

(2-chloroquinolin-3-yl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 9133574) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is (2-chloroquinolin-3-yl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name(2-chloroquinolin-3-yl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID9133574
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC Name(2-chloroquinolin-3-yl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
SMILESO=C(OCc1cc2ccccc2nc1Cl)c1ccccc1N1CCCC1=O
InChIInChI=1S/C21H17ClN2O3/c22-20-15(12-14-6-1-3-8-17(14)23-20)13-27-21(26)16-7-2-4-9-18(16)24-11-5-10-19(24)25/h1-4,6-9,12H,5,10-11,13H2
InChIKeyISZXINWDIDFSGR-UHFFFAOYSA-N
XLogP4.37
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-fluorophenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9130969
(2,5-dimethoxyphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9134704
(7-hydroxy-2-oxochromen-4-yl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9132576
(3-methylphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133484
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9132133
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131092
phenacyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131445
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133609
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133564
1-[(2-chloroquinolin-3-yl)methyl]piperidine-2,6-dione
CID 60921459
(2-chloroquinolin-3-yl)methyl 5-methylpyrazine-2-carboxylate
CID 7594610
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9132983

Frequently Asked Questions

What is the IUPAC name of (2-chloroquinolin-3-yl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of (2-chloroquinolin-3-yl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate (CID 9133574) is (2-chloroquinolin-3-yl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for (2-chloroquinolin-3-yl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for (2-chloroquinolin-3-yl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate is O=C(OCc1cc2ccccc2nc1Cl)c1ccccc1N1CCCC1=O.
What is the InChIKey of (2-chloroquinolin-3-yl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is ISZXINWDIDFSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3/c22-20-15(12-14-6-1-3-8-17(14)23-20)13-27-21(26)16-7-2-4-9-18(16)24-11-5-10-19(24)25/h1-4,6-9,12H,5,10-11,13H2.
What are the key properties of (2-chloroquinolin-3-yl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate?
(2-chloroquinolin-3-yl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 380.83 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloroquinolin-3-yl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 9133574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).