1-[2-[1-(4-fluorophenyl)pyrazol-4-yl]-4-methylquinolin-7-yl]imidazolidin-2-one

C22H18FN5O — CID 169420450

IUPAC1-[2-[1-(4-fluorophenyl)pyrazol-4-yl]-4-methylquinolin-7-yl]imidazolidin-2-one
SMILESCc1cc(-c2cnn(-c3ccc(F)cc3)c2)nc2cc(N3CCNC3=O)ccc12
InChIInChI=1S/C22H18FN5O/c1-14-10-20(15-12-25-28(13-15)17-4-2-16(23)3-5-17)26-21-11-18(6-7-19(14)21)27-9-8-24-22(27)29/h2-7,10-13H,8-9H2,1H3,(H,24,29)
InChIKeyRSXFACKFPLSTLS-UHFFFAOYSA-N
MW387.42 g/mol
LogP4.06
Rot. Bonds3

About 1-[2-[1-(4-fluorophenyl)pyrazol-4-yl]-4-methylquinolin-7-yl]imidazolidin-2-one

1-[2-[1-(4-fluorophenyl)pyrazol-4-yl]-4-methylquinolin-7-yl]imidazolidin-2-one (PubChem CID 169420450) has the molecular formula C22H18FN5O and a molecular weight of 387.42 g/mol. Its IUPAC name is 1-[2-[1-(4-fluorophenyl)pyrazol-4-yl]-4-methylquinolin-7-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(4-fluorophenyl)pyrazol-4-yl]-4-methylquinolin-7-yl]imidazolidin-2-one
PubChem CID169420450
Molecular FormulaC22H18FN5O
Molecular Weight387.42 g/mol
Exact Mass387.15
IUPAC Name1-[2-[1-(4-fluorophenyl)pyrazol-4-yl]-4-methylquinolin-7-yl]imidazolidin-2-one
SMILESCc1cc(-c2cnn(-c3ccc(F)cc3)c2)nc2cc(N3CCNC3=O)ccc12
InChIInChI=1S/C22H18FN5O/c1-14-10-20(15-12-25-28(13-15)17-4-2-16(23)3-5-17)26-21-11-18(6-7-19(14)21)27-9-8-24-22(27)29/h2-7,10-13H,8-9H2,1H3,(H,24,29)
InChIKeyRSXFACKFPLSTLS-UHFFFAOYSA-N
XLogP4.06
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-fluorophenyl)pyrazol-4-yl]-4-methylquinolin-7-yl]imidazolidin-2-one?
The IUPAC name of 1-[2-[1-(4-fluorophenyl)pyrazol-4-yl]-4-methylquinolin-7-yl]imidazolidin-2-one (CID 169420450) is 1-[2-[1-(4-fluorophenyl)pyrazol-4-yl]-4-methylquinolin-7-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[1-(4-fluorophenyl)pyrazol-4-yl]-4-methylquinolin-7-yl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[1-(4-fluorophenyl)pyrazol-4-yl]-4-methylquinolin-7-yl]imidazolidin-2-one is Cc1cc(-c2cnn(-c3ccc(F)cc3)c2)nc2cc(N3CCNC3=O)ccc12.
What is the InChIKey of 1-[2-[1-(4-fluorophenyl)pyrazol-4-yl]-4-methylquinolin-7-yl]imidazolidin-2-one?
The InChIKey is RSXFACKFPLSTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O/c1-14-10-20(15-12-25-28(13-15)17-4-2-16(23)3-5-17)26-21-11-18(6-7-19(14)21)27-9-8-24-22(27)29/h2-7,10-13H,8-9H2,1H3,(H,24,29).
What are the key properties of 1-[2-[1-(4-fluorophenyl)pyrazol-4-yl]-4-methylquinolin-7-yl]imidazolidin-2-one?
1-[2-[1-(4-fluorophenyl)pyrazol-4-yl]-4-methylquinolin-7-yl]imidazolidin-2-one has a molecular weight of 387.42 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-fluorophenyl)pyrazol-4-yl]-4-methylquinolin-7-yl]imidazolidin-2-one is sourced from PubChem (CID 169420450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).