1-[(5-chloroquinolin-8-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid

C15H13ClN2O3 — CID 103354702

IUPAC1-[(5-chloroquinolin-8-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(=O)N1Cc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H13ClN2O3/c16-11-4-3-9(14-10(11)2-1-7-17-14)8-18-12(15(20)21)5-6-13(18)19/h1-4,7,12H,5-6,8H2,(H,20,21)
InChIKeyFBNMZEHDJPJDOW-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.46
Rot. Bonds3

About 1-[(5-chloroquinolin-8-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid

1-[(5-chloroquinolin-8-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 103354702) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 1-[(5-chloroquinolin-8-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chloroquinolin-8-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
PubChem CID103354702
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name1-[(5-chloroquinolin-8-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(=O)N1Cc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H13ClN2O3/c16-11-4-3-9(14-10(11)2-1-7-17-14)8-18-12(15(20)21)5-6-13(18)19/h1-4,7,12H,5-6,8H2,(H,20,21)
InChIKeyFBNMZEHDJPJDOW-UHFFFAOYSA-N
XLogP2.46
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloroquinolin-8-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(5-chloroquinolin-8-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid (CID 103354702) is 1-[(5-chloroquinolin-8-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(5-chloroquinolin-8-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(5-chloroquinolin-8-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid is O=C(O)C1CCC(=O)N1Cc1ccc(Cl)c2cccnc12.
What is the InChIKey of 1-[(5-chloroquinolin-8-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is FBNMZEHDJPJDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-11-4-3-9(14-10(11)2-1-7-17-14)8-18-12(15(20)21)5-6-13(18)19/h1-4,7,12H,5-6,8H2,(H,20,21).
What are the key properties of 1-[(5-chloroquinolin-8-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
1-[(5-chloroquinolin-8-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 304.73 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloroquinolin-8-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 103354702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).