1-[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]-3-(4-fluorophenyl)urea

C22H22F2N4O — CID 118729671

IUPAC1-[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]-3-(4-fluorophenyl)urea
SMILESCc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c2cc(F)ccc2n1
InChIInChI=1S/C22H22F2N4O/c1-14-12-21(19-13-16(24)4-7-20(19)25-14)28-10-8-18(9-11-28)27-22(29)26-17-5-2-15(23)3-6-17/h2-7,12-13,18H,8-11H2,1H3,(H2,26,27,29)
InChIKeyYCNUNFFZGTZRDT-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.61
Rot. Bonds3

About 1-[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]-3-(4-fluorophenyl)urea

1-[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]-3-(4-fluorophenyl)urea (PubChem CID 118729671) has the molecular formula C22H22F2N4O and a molecular weight of 396.44 g/mol. Its IUPAC name is 1-[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]-3-(4-fluorophenyl)urea
PubChem CID118729671
Molecular FormulaC22H22F2N4O
Molecular Weight396.44 g/mol
Exact Mass396.18
IUPAC Name1-[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]-3-(4-fluorophenyl)urea
SMILESCc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c2cc(F)ccc2n1
InChIInChI=1S/C22H22F2N4O/c1-14-12-21(19-13-16(24)4-7-20(19)25-14)28-10-8-18(9-11-28)27-22(29)26-17-5-2-15(23)3-6-17/h2-7,12-13,18H,8-11H2,1H3,(H2,26,27,29)
InChIKeyYCNUNFFZGTZRDT-UHFFFAOYSA-N
XLogP4.61
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]-3-(4-fluorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]-3-(4-fluorophenyl)urea (CID 118729671) is 1-[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]-3-(4-fluorophenyl)urea is Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c2cc(F)ccc2n1.
What is the InChIKey of 1-[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]-3-(4-fluorophenyl)urea?
The InChIKey is YCNUNFFZGTZRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O/c1-14-12-21(19-13-16(24)4-7-20(19)25-14)28-10-8-18(9-11-28)27-22(29)26-17-5-2-15(23)3-6-17/h2-7,12-13,18H,8-11H2,1H3,(H2,26,27,29).
What are the key properties of 1-[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]-3-(4-fluorophenyl)urea?
1-[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]-3-(4-fluorophenyl)urea has a molecular weight of 396.44 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 118729671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).