1-(4-chloroquinolin-2-yl)imidazolidin-2-one

C12H10ClN3O — CID 13130953

IUPAC1-(4-chloroquinolin-2-yl)imidazolidin-2-one
SMILESO=C1NCCN1c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C12H10ClN3O/c13-9-7-11(16-6-5-14-12(16)17)15-10-4-2-1-3-8(9)10/h1-4,7H,5-6H2,(H,14,17)
InChIKeyPFPLHSLDYCCXGB-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.42
Rot. Bonds1

About 1-(4-chloroquinolin-2-yl)imidazolidin-2-one

1-(4-chloroquinolin-2-yl)imidazolidin-2-one (PubChem CID 13130953) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 1-(4-chloroquinolin-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-chloroquinolin-2-yl)imidazolidin-2-one
PubChem CID13130953
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name1-(4-chloroquinolin-2-yl)imidazolidin-2-one
SMILESO=C1NCCN1c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C12H10ClN3O/c13-9-7-11(16-6-5-14-12(16)17)15-10-4-2-1-3-8(9)10/h1-4,7H,5-6H2,(H,14,17)
InChIKeyPFPLHSLDYCCXGB-UHFFFAOYSA-N
XLogP2.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloroquinolin-2-yl)imidazolidin-2-one?
The IUPAC name of 1-(4-chloroquinolin-2-yl)imidazolidin-2-one (CID 13130953) is 1-(4-chloroquinolin-2-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(4-chloroquinolin-2-yl)imidazolidin-2-one?
The canonical SMILES for 1-(4-chloroquinolin-2-yl)imidazolidin-2-one is O=C1NCCN1c1cc(Cl)c2ccccc2n1.
What is the InChIKey of 1-(4-chloroquinolin-2-yl)imidazolidin-2-one?
The InChIKey is PFPLHSLDYCCXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c13-9-7-11(16-6-5-14-12(16)17)15-10-4-2-1-3-8(9)10/h1-4,7H,5-6H2,(H,14,17).
What are the key properties of 1-(4-chloroquinolin-2-yl)imidazolidin-2-one?
1-(4-chloroquinolin-2-yl)imidazolidin-2-one has a molecular weight of 247.69 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloroquinolin-2-yl)imidazolidin-2-one is sourced from PubChem (CID 13130953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).