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

C24H20FN3O2 — CID 50827617

IUPAC1-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3-(3-methylphenyl)urea
SMILESCOc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)Nc3cccc(C)c3)cc12
InChIInChI=1S/C24H20FN3O2/c1-15-4-3-5-18(12-15)26-24(29)27-19-10-11-21-20(13-19)23(30-2)14-22(28-21)16-6-8-17(25)9-7-16/h3-14H,1-2H3,(H2,26,27,29)
InChIKeySHVMJYRCPHQMNF-UHFFFAOYSA-N
MW401.44 g/mol
LogP6.00
Rot. Bonds4

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

1-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3-(3-methylphenyl)urea (PubChem CID 50827617) has the molecular formula C24H20FN3O2 and a molecular weight of 401.44 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3-(3-methylphenyl)urea
PubChem CID50827617
Molecular FormulaC24H20FN3O2
Molecular Weight401.44 g/mol
Exact Mass401.15
IUPAC Name1-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3-(3-methylphenyl)urea
SMILESCOc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)Nc3cccc(C)c3)cc12
InChIInChI=1S/C24H20FN3O2/c1-15-4-3-5-18(12-15)26-24(29)27-19-10-11-21-20(13-19)23(30-2)14-22(28-21)16-6-8-17(25)9-7-16/h3-14H,1-2H3,(H2,26,27,29)
InChIKeySHVMJYRCPHQMNF-UHFFFAOYSA-N
XLogP6.00
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.44
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea
CID 50827540
3-fluoro-N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]benzamide
CID 53113478
1-(5-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea
CID 50827606
N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3,4,5-trimethoxybenzamide
CID 45499103
methyl 2-[6-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate
CID 50827642
N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]benzamide
CID 53001311
1-(2,4-dimethylphenyl)-3-[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]urea
CID 50827596
N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]-2-methylpropanamide
CID 53113425
1-(5-chloro-2-methylphenyl)-3-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]urea
CID 50828072
1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]urea
CID 50827542
1-(4-ethoxy-2-phenylquinolin-6-yl)-3-(3-methoxyphenyl)urea
CID 46385044
N-[4-methoxy-2-(4-methoxyphenyl)quinolin-6-yl]benzamide
CID 53113445

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3-(3-methylphenyl)urea (CID 50827617) is 1-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3-(3-methylphenyl)urea is COc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)Nc3cccc(C)c3)cc12.
What is the InChIKey of 1-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3-(3-methylphenyl)urea?
The InChIKey is SHVMJYRCPHQMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2/c1-15-4-3-5-18(12-15)26-24(29)27-19-10-11-21-20(13-19)23(30-2)14-22(28-21)16-6-8-17(25)9-7-16/h3-14H,1-2H3,(H2,26,27,29).
What are the key properties of 1-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3-(3-methylphenyl)urea?
1-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3-(3-methylphenyl)urea has a molecular weight of 401.44 g/mol, XLogP of 6.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 50827617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).