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

C24H19F3N4O3 — CID 162666698

IUPAC1-(2-oxo-1H-quinolin-5-yl)-3-[[2-phenylmethoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
SMILESO=C(NCc1ccc(C(F)(F)F)nc1OCc1ccccc1)Nc1cccc2[nH]c(=O)ccc12
InChIInChI=1S/C24H19F3N4O3/c25-24(26,27)20-11-9-16(22(31-20)34-14-15-5-2-1-3-6-15)13-28-23(33)30-19-8-4-7-18-17(19)10-12-21(32)29-18/h1-12H,13-14H2,(H,29,32)(H2,28,30,33)
InChIKeyBWULRIXFTDRQCL-UHFFFAOYSA-N
MW468.44 g/mol
LogP4.84
Rot. Bonds6

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

1-(2-oxo-1H-quinolin-5-yl)-3-[[2-phenylmethoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea (PubChem CID 162666698) has the molecular formula C24H19F3N4O3 and a molecular weight of 468.44 g/mol. Its IUPAC name is 1-(2-oxo-1H-quinolin-5-yl)-3-[[2-phenylmethoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-(2-oxo-1H-quinolin-5-yl)-3-[[2-phenylmethoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
PubChem CID162666698
Molecular FormulaC24H19F3N4O3
Molecular Weight468.44 g/mol
Exact Mass468.14
IUPAC Name1-(2-oxo-1H-quinolin-5-yl)-3-[[2-phenylmethoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
SMILESO=C(NCc1ccc(C(F)(F)F)nc1OCc1ccccc1)Nc1cccc2[nH]c(=O)ccc12
InChIInChI=1S/C24H19F3N4O3/c25-24(26,27)20-11-9-16(22(31-20)34-14-15-5-2-1-3-6-15)13-28-23(33)30-19-8-4-7-18-17(19)10-12-21(32)29-18/h1-12H,13-14H2,(H,29,32)(H2,28,30,33)
InChIKeyBWULRIXFTDRQCL-UHFFFAOYSA-N
XLogP4.84
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1H-quinolin-5-yl)-3-[[2-phenylmethoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-(2-oxo-1H-quinolin-5-yl)-3-[[2-phenylmethoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea (CID 162666698) is 1-(2-oxo-1H-quinolin-5-yl)-3-[[2-phenylmethoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-(2-oxo-1H-quinolin-5-yl)-3-[[2-phenylmethoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-(2-oxo-1H-quinolin-5-yl)-3-[[2-phenylmethoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea is O=C(NCc1ccc(C(F)(F)F)nc1OCc1ccccc1)Nc1cccc2[nH]c(=O)ccc12.
What is the InChIKey of 1-(2-oxo-1H-quinolin-5-yl)-3-[[2-phenylmethoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea?
The InChIKey is BWULRIXFTDRQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O3/c25-24(26,27)20-11-9-16(22(31-20)34-14-15-5-2-1-3-6-15)13-28-23(33)30-19-8-4-7-18-17(19)10-12-21(32)29-18/h1-12H,13-14H2,(H,29,32)(H2,28,30,33).
What are the key properties of 1-(2-oxo-1H-quinolin-5-yl)-3-[[2-phenylmethoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea?
1-(2-oxo-1H-quinolin-5-yl)-3-[[2-phenylmethoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea has a molecular weight of 468.44 g/mol, XLogP of 4.84, 6 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-phenylmethoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 162666698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).