1-(2,4-dimethylphenyl)-3-[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]urea

C26H24FN3O2 — CID 50827596

IUPAC1-(2,4-dimethylphenyl)-3-[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]urea
SMILESCCOc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)Nc3ccc(C)cc3C)cc12
InChIInChI=1S/C26H24FN3O2/c1-4-32-25-15-24(18-6-8-19(27)9-7-18)29-23-12-10-20(14-21(23)25)28-26(31)30-22-11-5-16(2)13-17(22)3/h5-15H,4H2,1-3H3,(H2,28,30,31)
InChIKeyMUKXCEMVUUKYDM-UHFFFAOYSA-N
MW429.50 g/mol
LogP6.70
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-3-[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]urea

1-(2,4-dimethylphenyl)-3-[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]urea (PubChem CID 50827596) has the molecular formula C26H24FN3O2 and a molecular weight of 429.50 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]urea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]urea
PubChem CID50827596
Molecular FormulaC26H24FN3O2
Molecular Weight429.50 g/mol
Exact Mass429.19
IUPAC Name1-(2,4-dimethylphenyl)-3-[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]urea
SMILESCCOc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)Nc3ccc(C)cc3C)cc12
InChIInChI=1S/C26H24FN3O2/c1-4-32-25-15-24(18-6-8-19(27)9-7-18)29-23-12-10-20(14-21(23)25)28-26(31)30-22-11-5-16(2)13-17(22)3/h5-15H,4H2,1-3H3,(H2,28,30,31)
InChIKeyMUKXCEMVUUKYDM-UHFFFAOYSA-N
XLogP6.70
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-ethoxy-2-(4-methylphenyl)quinolin-6-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 50828262
1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]urea
CID 50827542
methyl 2-[6-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate
CID 50827642
1-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3-(3-methylphenyl)urea
CID 50827617
1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea
CID 50827540
ethyl 2-[6-[(2,5-difluorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385093
methyl 2-[6-[(2-ethoxyphenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385068
ethyl 2-[2-(4-fluorophenyl)-6-(propanoylamino)quinolin-4-yl]oxyacetate
CID 53113659
1-(5-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea
CID 50827606
1-(4-ethoxy-2-phenylquinolin-6-yl)-3-(3-methoxyphenyl)urea
CID 46385044
ethyl 2-[6-(benzylcarbamoylamino)-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate
CID 50827545
1-[2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-3-(3-fluoro-4-methylphenyl)urea
CID 46385124

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]urea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]urea (CID 50827596) is 1-(2,4-dimethylphenyl)-3-[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]urea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]urea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]urea is CCOc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)Nc3ccc(C)cc3C)cc12.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]urea?
The InChIKey is MUKXCEMVUUKYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O2/c1-4-32-25-15-24(18-6-8-19(27)9-7-18)29-23-12-10-20(14-21(23)25)28-26(31)30-22-11-5-16(2)13-17(22)3/h5-15H,4H2,1-3H3,(H2,28,30,31).
What are the key properties of 1-(2,4-dimethylphenyl)-3-[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]urea?
1-(2,4-dimethylphenyl)-3-[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]urea has a molecular weight of 429.50 g/mol, XLogP of 6.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]urea is sourced from PubChem (CID 50827596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).