1-(5-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxylic acid

C14H11ClN2O3 — CID 116783155

IUPAC1-(5-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc(Cl)c3cccnc23)C1
InChIInChI=1S/C14H11ClN2O3/c15-10-3-4-11(13-9(10)2-1-5-16-13)17-7-8(14(19)20)6-12(17)18/h1-5,8H,6-7H2,(H,19,20)
InChIKeyOYXLPJBIUKMSQP-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.33
Rot. Bonds2

About 1-(5-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxylic acid

1-(5-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 116783155) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 1-(5-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID116783155
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name1-(5-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc(Cl)c3cccnc23)C1
InChIInChI=1S/C14H11ClN2O3/c15-10-3-4-11(13-9(10)2-1-5-16-13)17-7-8(14(19)20)6-12(17)18/h1-5,8H,6-7H2,(H,19,20)
InChIKeyOYXLPJBIUKMSQP-UHFFFAOYSA-N
XLogP2.33
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692273
5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 168698201
1-(5-chloroquinolin-8-yl)-3-methylpiperazine-2,5-dione
CID 116785711
1-(3-amino-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692272
3-amino-1-(5-chloroquinolin-8-yl)piperidin-2-one
CID 116785599
1-(2-amino-4-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691853
1-(2-chloro-6-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691617
1-(3-chloro-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691584
4-chloro-1-quinolin-8-ylpyrrolidin-2-one
CID 168689599
1-[(5-chloroquinolin-8-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 103354702
4-(hydroxymethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one
CID 168662622
1-(5-cyanoquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697996

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(5-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxylic acid (CID 116783155) is 1-(5-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(5-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2ccc(Cl)c3cccnc23)C1.
What is the InChIKey of 1-(5-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is OYXLPJBIUKMSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c15-10-3-4-11(13-9(10)2-1-5-16-13)17-7-8(14(19)20)6-12(17)18/h1-5,8H,6-7H2,(H,19,20).
What are the key properties of 1-(5-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxylic acid?
1-(5-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 290.71 g/mol, XLogP of 2.33, 2 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)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 116783155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).