1-(5-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea

C24H19ClFN3O2 — CID 50827606

IUPAC1-(5-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea
SMILESCOc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)Nc3cc(Cl)ccc3C)cc12
InChIInChI=1S/C24H19ClFN3O2/c1-14-3-6-16(25)11-21(14)29-24(30)27-18-9-10-20-19(12-18)23(31-2)13-22(28-20)15-4-7-17(26)8-5-15/h3-13H,1-2H3,(H2,27,29,30)
InChIKeyQBVCGBWSZPSZBK-UHFFFAOYSA-N
MW435.89 g/mol
LogP6.66
Rot. Bonds4

About 1-(5-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea

1-(5-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea (PubChem CID 50827606) has the molecular formula C24H19ClFN3O2 and a molecular weight of 435.89 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea
PubChem CID50827606
Molecular FormulaC24H19ClFN3O2
Molecular Weight435.89 g/mol
Exact Mass435.11
IUPAC Name1-(5-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea
SMILESCOc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)Nc3cc(Cl)ccc3C)cc12
InChIInChI=1S/C24H19ClFN3O2/c1-14-3-6-16(25)11-21(14)29-24(30)27-18-9-10-20-19(12-18)23(31-2)13-22(28-20)15-4-7-17(26)8-5-15/h3-13H,1-2H3,(H2,27,29,30)
InChIKeyQBVCGBWSZPSZBK-UHFFFAOYSA-N
XLogP6.66
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.89
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea with MolForge

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Related Compounds

1-(5-chloro-2-methylphenyl)-3-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]urea
CID 50828072
1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea
CID 50827540
1-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3-(3-methylphenyl)urea
CID 50827617
methyl 2-[6-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate
CID 50827642
1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]urea
CID 50827542
N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3,4,5-trimethoxybenzamide
CID 45499103
1-(2,4-dimethylphenyl)-3-[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]urea
CID 50827596
N-[2-(4-chlorophenyl)-4-methoxyquinolin-6-yl]-2-methoxyacetamide
CID 53001321
N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]-2-methylpropanamide
CID 53113425
3-fluoro-N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]benzamide
CID 53113478
1-benzyl-3-[2-(4-chlorophenyl)-4-methoxyquinolin-6-yl]urea
CID 50827654
1-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-methylquinolin-6-yl)urea
CID 46385135

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea (CID 50827606) is 1-(5-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea is COc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)Nc3cc(Cl)ccc3C)cc12.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea?
The InChIKey is QBVCGBWSZPSZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3O2/c1-14-3-6-16(25)11-21(14)29-24(30)27-18-9-10-20-19(12-18)23(31-2)13-22(28-20)15-4-7-17(26)8-5-15/h3-13H,1-2H3,(H2,27,29,30).
What are the key properties of 1-(5-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea?
1-(5-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea has a molecular weight of 435.89 g/mol, XLogP of 6.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea is sourced from PubChem (CID 50827606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).