1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione

C14H11ClN2O2 — CID 162469910

IUPAC1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Cc1ccc2c(Cl)ccnc2c1
InChIInChI=1S/C14H11ClN2O2/c15-11-5-6-16-12-7-9(1-2-10(11)12)8-17-13(18)3-4-14(17)19/h1-2,5-7H,3-4,8H2
InChIKeyOYMSTTIISPUJOI-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.54
Rot. Bonds2

About 1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione

1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 162469910) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione
PubChem CID162469910
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Cc1ccc2c(Cl)ccnc2c1
InChIInChI=1S/C14H11ClN2O2/c15-11-5-6-16-12-7-9(1-2-10(11)12)8-17-13(18)3-4-14(17)19/h1-2,5-7H,3-4,8H2
InChIKeyOYMSTTIISPUJOI-UHFFFAOYSA-N
XLogP2.54
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-Pyrrolidinone, 1-(8-quinolinyl)-
CID 3061465
4-Chloro-7-methylquinoline
CID 12326334
1-[3-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propyl]quinolinium
CID 15945092
1-(5-Quinolyl)-2-pyrrolidinone
CID 18433632
1-Quinolin-3-yl-pyrrolidin-2-one
CID 21940703
1-(6-Quinolyl)-2-pyrrolidinone
CID 118731128
5-chloro-2-(quinolin-8-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CID 2870983
1-[2-(Quinolin-3-yl)pyrrolidin-1-yl]ethan-1-one
CID 102543343
3-Chloro-1-(4-(trifluoromethyl)quinolin-5-yl)pyrrolidine-2,5-dione
CID 129886824
3-[(5-Fluoroquinolin-8-yl)methyl]-1-methylpyrrolidine-2,5-dione
CID 176430015
2,2-Difluoro-1-pyrrolidin-1-yl-2-quinolin-3-ylethanone
CID 177849893
3-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(4-methylquinolin-8-yl)propanamide
CID 2909434

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione (CID 162469910) is 1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1Cc1ccc2c(Cl)ccnc2c1.
What is the InChIKey of 1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is OYMSTTIISPUJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c15-11-5-6-16-12-7-9(1-2-10(11)12)8-17-13(18)3-4-14(17)19/h1-2,5-7H,3-4,8H2.
What are the key properties of 1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione?
1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 274.71 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 162469910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).