1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea

C23H17F2N3O2 — CID 50827540

IUPAC1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea
SMILESCOc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)Nc3ccc(F)cc3)cc12
InChIInChI=1S/C23H17F2N3O2/c1-30-22-13-21(14-2-4-15(24)5-3-14)28-20-11-10-18(12-19(20)22)27-23(29)26-17-8-6-16(25)7-9-17/h2-13H,1H3,(H2,26,27,29)
InChIKeyWORFQXPTUQQMPN-UHFFFAOYSA-N
MW405.40 g/mol
LogP5.83
Rot. Bonds4

About 1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea

1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea (PubChem CID 50827540) has the molecular formula C23H17F2N3O2 and a molecular weight of 405.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea
PubChem CID50827540
Molecular FormulaC23H17F2N3O2
Molecular Weight405.40 g/mol
Exact Mass405.13
IUPAC Name1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea
SMILESCOc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)Nc3ccc(F)cc3)cc12
InChIInChI=1S/C23H17F2N3O2/c1-30-22-13-21(14-2-4-15(24)5-3-14)28-20-11-10-18(12-19(20)22)27-23(29)26-17-8-6-16(25)7-9-17/h2-13H,1H3,(H2,26,27,29)
InChIKeyWORFQXPTUQQMPN-UHFFFAOYSA-N
XLogP5.83
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.40
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]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-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3-(3-methylphenyl)urea
CID 50827617
N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3,4,5-trimethoxybenzamide
CID 45499103
1-(5-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea
CID 50827606
3-fluoro-N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]benzamide
CID 53113478
methyl 2-[6-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate
CID 50827642
N-[4-[[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]sulfamoyl]phenyl]acetamide
CID 50836629
1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]urea
CID 50827542
1-(5-chloro-2-methylphenyl)-3-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]urea
CID 50828072
N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]-2-methylpropanamide
CID 53113425
N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]benzamide
CID 53001311
N-[4-methoxy-2-(4-methoxyphenyl)quinolin-6-yl]benzamide
CID 53113445
methyl 2-[2-(4-fluorophenyl)-6-[(2-methoxybenzoyl)amino]quinolin-4-yl]oxyacetate
CID 53113586

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea (CID 50827540) is 1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea is COc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)Nc3ccc(F)cc3)cc12.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea?
The InChIKey is WORFQXPTUQQMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O2/c1-30-22-13-21(14-2-4-15(24)5-3-14)28-20-11-10-18(12-19(20)22)27-23(29)26-17-8-6-16(25)7-9-17/h2-13H,1H3,(H2,26,27,29).
What are the key properties of 1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea?
1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea has a molecular weight of 405.40 g/mol, XLogP of 5.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea is sourced from PubChem (CID 50827540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).