1-(2-hydroxy-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea

C20H22F3N3O2 — CID 135144213

IUPAC1-(2-hydroxy-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(C)N1c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CCC1O
InChIInChI=1S/C20H22F3N3O2/c1-12(2)26-17-9-8-16(11-13(17)3-10-18(26)27)25-19(28)24-15-6-4-14(5-7-15)20(21,22)23/h4-9,11-12,18,27H,3,10H2,1-2H3,(H2,24,25,28)
InChIKeyPGBRDJSXEJBSNP-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.83
Rot. Bonds3

About 1-(2-hydroxy-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea

1-(2-hydroxy-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 135144213) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is 1-(2-hydroxy-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID135144213
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Name1-(2-hydroxy-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(C)N1c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CCC1O
InChIInChI=1S/C20H22F3N3O2/c1-12(2)26-17-9-8-16(11-13(17)3-10-18(26)27)25-19(28)24-15-6-4-14(5-7-15)20(21,22)23/h4-9,11-12,18,27H,3,10H2,1-2H3,(H2,24,25,28)
InChIKeyPGBRDJSXEJBSNP-UHFFFAOYSA-N
XLogP4.83
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2-hydroxy-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

1-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 135144208
1-(1,2,3,4-tetrahydroisoquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 66935505
1-(4-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000604
1-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 42660816
1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 19433217
1-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl)-3-[4-(trifluoromethyl)phenyl]urea;hydrochloride
CID 129137388
1-[4-(4-methoxypiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71809702
1-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 24945761
1-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 1064185
1-(4-fluorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376046
1-(4-methoxyphenyl)-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea
CID 30373580
1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 727768

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-hydroxy-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea (CID 135144213) is 1-(2-hydroxy-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-hydroxy-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-hydroxy-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea is CC(C)N1c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CCC1O.
What is the InChIKey of 1-(2-hydroxy-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is PGBRDJSXEJBSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-12(2)26-17-9-8-16(11-13(17)3-10-18(26)27)25-19(28)24-15-6-4-14(5-7-15)20(21,22)23/h4-9,11-12,18,27H,3,10H2,1-2H3,(H2,24,25,28).
What are the key properties of 1-(2-hydroxy-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea?
1-(2-hydroxy-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 393.41 g/mol, XLogP of 4.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 135144213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).