1-[1-[1-(2-methylquinolin-4-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

C19H20N6O — CID 126945866

IUPAC1-[1-[1-(2-methylquinolin-4-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
SMILESCc1cc(N2CC(n3cc(N4CCNC4=O)cn3)C2)c2ccccc2n1
InChIInChI=1S/C19H20N6O/c1-13-8-18(16-4-2-3-5-17(16)22-13)23-10-15(11-23)25-12-14(9-21-25)24-7-6-20-19(24)26/h2-5,8-9,12,15H,6-7,10-11H2,1H3,(H,20,26)
InChIKeyCLSSVQFLNUXZTI-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.33
Rot. Bonds3

About 1-[1-[1-(2-methylquinolin-4-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

1-[1-[1-(2-methylquinolin-4-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (PubChem CID 126945866) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-[1-[1-(2-methylquinolin-4-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[1-(2-methylquinolin-4-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
PubChem CID126945866
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name1-[1-[1-(2-methylquinolin-4-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
SMILESCc1cc(N2CC(n3cc(N4CCNC4=O)cn3)C2)c2ccccc2n1
InChIInChI=1S/C19H20N6O/c1-13-8-18(16-4-2-3-5-17(16)22-13)23-10-15(11-23)25-12-14(9-21-25)24-7-6-20-19(24)26/h2-5,8-9,12,15H,6-7,10-11H2,1H3,(H,20,26)
InChIKeyCLSSVQFLNUXZTI-UHFFFAOYSA-N
XLogP2.33
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2-methylquinolin-4-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[1-(2-methylquinolin-4-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (CID 126945866) is 1-[1-[1-(2-methylquinolin-4-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[1-(2-methylquinolin-4-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[1-(2-methylquinolin-4-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is Cc1cc(N2CC(n3cc(N4CCNC4=O)cn3)C2)c2ccccc2n1.
What is the InChIKey of 1-[1-[1-(2-methylquinolin-4-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The InChIKey is CLSSVQFLNUXZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-13-8-18(16-4-2-3-5-17(16)22-13)23-10-15(11-23)25-12-14(9-21-25)24-7-6-20-19(24)26/h2-5,8-9,12,15H,6-7,10-11H2,1H3,(H,20,26).
What are the key properties of 1-[1-[1-(2-methylquinolin-4-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
1-[1-[1-(2-methylquinolin-4-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one has a molecular weight of 348.41 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2-methylquinolin-4-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is sourced from PubChem (CID 126945866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).