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

C23H23F3N4O3 — CID 162673718

IUPAC1-[[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea
SMILESO=C(NCc1ccc(C(F)(F)F)nc1OCC1CCCC1)Nc1cccc2[nH]c(=O)ccc12
InChIInChI=1S/C23H23F3N4O3/c24-23(25,26)19-10-8-15(21(30-19)33-13-14-4-1-2-5-14)12-27-22(32)29-18-7-3-6-17-16(18)9-11-20(31)28-17/h3,6-11,14H,1-2,4-5,12-13H2,(H,28,31)(H2,27,29,32)
InChIKeyMYCOAJOURWEFEB-UHFFFAOYSA-N
MW460.46 g/mol
LogP4.83
Rot. Bonds6

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

1-[[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea (PubChem CID 162673718) has the molecular formula C23H23F3N4O3 and a molecular weight of 460.46 g/mol. Its IUPAC name is 1-[[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea.

Molecular Properties

Compound Name1-[[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea
PubChem CID162673718
Molecular FormulaC23H23F3N4O3
Molecular Weight460.46 g/mol
Exact Mass460.17
IUPAC Name1-[[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea
SMILESO=C(NCc1ccc(C(F)(F)F)nc1OCC1CCCC1)Nc1cccc2[nH]c(=O)ccc12
InChIInChI=1S/C23H23F3N4O3/c24-23(25,26)19-10-8-15(21(30-19)33-13-14-4-1-2-5-14)12-27-22(32)29-18-7-3-6-17-16(18)9-11-20(31)28-17/h3,6-11,14H,1-2,4-5,12-13H2,(H,28,31)(H2,27,29,32)
InChIKeyMYCOAJOURWEFEB-UHFFFAOYSA-N
XLogP4.83
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea with MolForge

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Related Compounds

(3R)-3-[4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]oxy-N-phenylpiperidine-1-carboxamide
CID 122517020
(3S)-3-[4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]oxy-N-phenylpiperidine-1-carboxamide
CID 122517043
1-[[2-hexoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea
CID 162643240
1-[[2-(cyclobutylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea
CID 162664723
1-[[2-(2-methylpropoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(1-oxo-2H-isoquinolin-5-yl)urea
CID 162665251
1-(2-oxo-1H-quinolin-5-yl)-3-[[2-phenylmethoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 162666698
1-(2-oxo-1H-quinolin-5-yl)-3-[[2-pentoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 162668067
1-[[2-butoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(1-oxo-2H-isoquinolin-5-yl)urea
CID 162671563
1-[[2-(2-methylpropoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea
CID 162672602
1-[[2-butoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea
CID 162672721
1-[[2-(cyclobutylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(1-oxo-2H-isoquinolin-5-yl)urea
CID 162675132
1-[[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(1-oxo-2H-isoquinolin-5-yl)urea
CID 162675388

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea?
The IUPAC name of 1-[[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea (CID 162673718) is 1-[[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea.
What is the SMILES notation for 1-[[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea?
The canonical SMILES for 1-[[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea is O=C(NCc1ccc(C(F)(F)F)nc1OCC1CCCC1)Nc1cccc2[nH]c(=O)ccc12.
What is the InChIKey of 1-[[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea?
The InChIKey is MYCOAJOURWEFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O3/c24-23(25,26)19-10-8-15(21(30-19)33-13-14-4-1-2-5-14)12-27-22(32)29-18-7-3-6-17-16(18)9-11-20(31)28-17/h3,6-11,14H,1-2,4-5,12-13H2,(H,28,31)(H2,27,29,32).
What are the key properties of 1-[[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea?
1-[[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea has a molecular weight of 460.46 g/mol, XLogP of 4.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea is sourced from PubChem (CID 162673718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).