1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-[4-(trifluoromethyl)phenyl]urea

C22H22F3N3O3 — CID 138456849

IUPAC1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCc1cc(C)c2[nH]c(=O)c(CN(CCO)C(=O)Nc3ccc(C(F)(F)F)cc3)cc2c1
InChIInChI=1S/C22H22F3N3O3/c1-13-9-14(2)19-15(10-13)11-16(20(30)27-19)12-28(7-8-29)21(31)26-18-5-3-17(4-6-18)22(23,24)25/h3-6,9-11,29H,7-8,12H2,1-2H3,(H,26,31)(H,27,30)
InChIKeyFAHXLSJWDHQQCU-UHFFFAOYSA-N
MW433.43 g/mol
LogP4.19
Rot. Bonds5

About 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-[4-(trifluoromethyl)phenyl]urea

1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 138456849) has the molecular formula C22H22F3N3O3 and a molecular weight of 433.43 g/mol. Its IUPAC name is 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID138456849
Molecular FormulaC22H22F3N3O3
Molecular Weight433.43 g/mol
Exact Mass433.16
IUPAC Name1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCc1cc(C)c2[nH]c(=O)c(CN(CCO)C(=O)Nc3ccc(C(F)(F)F)cc3)cc2c1
InChIInChI=1S/C22H22F3N3O3/c1-13-9-14(2)19-15(10-13)11-16(20(30)27-19)12-28(7-8-29)21(31)26-18-5-3-17(4-6-18)22(23,24)25/h3-6,9-11,29H,7-8,12H2,1-2H3,(H,26,31)(H,27,30)
InChIKeyFAHXLSJWDHQQCU-UHFFFAOYSA-N
XLogP4.19
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-[4-(trifluoromethyl)phenyl]urea with MolForge

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

Launch Full Analysis

Related Compounds

1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-[3-(trifluoromethoxy)phenyl]urea
CID 155690153
1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)-1-(3-hydroxypropyl)urea
CID 3194560
1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-[4-(2,2,2-trifluoroethoxy)phenyl]urea
CID 138456850
1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
CID 1449396
3-(4-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)urea
CID 23824480
3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1467390
1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(1,4-dioxan-2-ylmethyl)-3-phenylurea
CID 3214314
1-(2-hydroxyethyl)-1-prop-2-enyl-3-[4-(trifluoromethyl)phenyl]urea
CID 115633231
1-[2-(diethylamino)ethyl]-3-(4-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 3194358
3-(4-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(3-methylphenyl)ethyl]urea
CID 1467483
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
CID 860672
2-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[1-(4-ethoxyanilino)ethenyl]amino]ethyl 2,2-dimethylpropanoate
CID 174336916

Frequently Asked Questions

What is the IUPAC name of 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-[4-(trifluoromethyl)phenyl]urea (CID 138456849) is 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-[4-(trifluoromethyl)phenyl]urea is Cc1cc(C)c2[nH]c(=O)c(CN(CCO)C(=O)Nc3ccc(C(F)(F)F)cc3)cc2c1.
What is the InChIKey of 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is FAHXLSJWDHQQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O3/c1-13-9-14(2)19-15(10-13)11-16(20(30)27-19)12-28(7-8-29)21(31)26-18-5-3-17(4-6-18)22(23,24)25/h3-6,9-11,29H,7-8,12H2,1-2H3,(H,26,31)(H,27,30).
What are the key properties of 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-[4-(trifluoromethyl)phenyl]urea?
1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 433.43 g/mol, XLogP of 4.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 138456849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).