1-(2-oxo-1H-quinolin-5-yl)-3-[[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methyl]urea

C22H22F3N5O2 — CID 162668548

IUPAC1-(2-oxo-1H-quinolin-5-yl)-3-[[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
SMILESO=C(NCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1cccc2[nH]c(=O)ccc12
InChIInChI=1S/C22H22F3N5O2/c23-22(24,25)18-9-7-14(20(29-18)30-11-2-1-3-12-30)13-26-21(32)28-17-6-4-5-16-15(17)8-10-19(31)27-16/h4-10H,1-3,11-13H2,(H,27,31)(H2,26,28,32)
InChIKeyGPTRLLZNVUQBQI-UHFFFAOYSA-N
MW445.45 g/mol
LogP4.25
Rot. Bonds4

About 1-(2-oxo-1H-quinolin-5-yl)-3-[[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methyl]urea

1-(2-oxo-1H-quinolin-5-yl)-3-[[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methyl]urea (PubChem CID 162668548) has the molecular formula C22H22F3N5O2 and a molecular weight of 445.45 g/mol. Its IUPAC name is 1-(2-oxo-1H-quinolin-5-yl)-3-[[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-(2-oxo-1H-quinolin-5-yl)-3-[[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
PubChem CID162668548
Molecular FormulaC22H22F3N5O2
Molecular Weight445.45 g/mol
Exact Mass445.17
IUPAC Name1-(2-oxo-1H-quinolin-5-yl)-3-[[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
SMILESO=C(NCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1cccc2[nH]c(=O)ccc12
InChIInChI=1S/C22H22F3N5O2/c23-22(24,25)18-9-7-14(20(29-18)30-11-2-1-3-12-30)13-26-21(32)28-17-6-4-5-16-15(17)8-10-19(31)27-16/h4-10H,1-3,11-13H2,(H,27,31)(H2,26,28,32)
InChIKeyGPTRLLZNVUQBQI-UHFFFAOYSA-N
XLogP4.25
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(2-oxo-1H-quinolin-5-yl)-3-[[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methyl]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-(2-oxo-1H-quinolin-5-yl)-3-[[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-(2-oxo-1H-quinolin-5-yl)-3-[[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methyl]urea (CID 162668548) is 1-(2-oxo-1H-quinolin-5-yl)-3-[[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-(2-oxo-1H-quinolin-5-yl)-3-[[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-(2-oxo-1H-quinolin-5-yl)-3-[[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methyl]urea is O=C(NCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1cccc2[nH]c(=O)ccc12.
What is the InChIKey of 1-(2-oxo-1H-quinolin-5-yl)-3-[[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methyl]urea?
The InChIKey is GPTRLLZNVUQBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O2/c23-22(24,25)18-9-7-14(20(29-18)30-11-2-1-3-12-30)13-26-21(32)28-17-6-4-5-16-15(17)8-10-19(31)27-16/h4-10H,1-3,11-13H2,(H,27,31)(H2,26,28,32).
What are the key properties of 1-(2-oxo-1H-quinolin-5-yl)-3-[[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methyl]urea?
1-(2-oxo-1H-quinolin-5-yl)-3-[[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methyl]urea has a molecular weight of 445.45 g/mol, XLogP of 4.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1H-quinolin-5-yl)-3-[[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 162668548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).