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

C24H20ClN3O2 — CID 50827654

IUPAC1-benzyl-3-[2-(4-chlorophenyl)-4-methoxyquinolin-6-yl]urea
SMILESCOc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)NCc3ccccc3)cc12
InChIInChI=1S/C24H20ClN3O2/c1-30-23-14-22(17-7-9-18(25)10-8-17)28-21-12-11-19(13-20(21)23)27-24(29)26-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H2,26,27,29)
InChIKeyLPLIAIJAMLEUGY-UHFFFAOYSA-N
MW417.90 g/mol
LogP5.89
Rot. Bonds5

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

1-benzyl-3-[2-(4-chlorophenyl)-4-methoxyquinolin-6-yl]urea (PubChem CID 50827654) has the molecular formula C24H20ClN3O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is 1-benzyl-3-[2-(4-chlorophenyl)-4-methoxyquinolin-6-yl]urea.

Molecular Properties

Compound Name1-benzyl-3-[2-(4-chlorophenyl)-4-methoxyquinolin-6-yl]urea
PubChem CID50827654
Molecular FormulaC24H20ClN3O2
Molecular Weight417.90 g/mol
Exact Mass417.12
IUPAC Name1-benzyl-3-[2-(4-chlorophenyl)-4-methoxyquinolin-6-yl]urea
SMILESCOc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)NCc3ccccc3)cc12
InChIInChI=1S/C24H20ClN3O2/c1-30-23-14-22(17-7-9-18(25)10-8-17)28-21-12-11-19(13-20(21)23)27-24(29)26-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H2,26,27,29)
InChIKeyLPLIAIJAMLEUGY-UHFFFAOYSA-N
XLogP5.89
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.90
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)-4-methoxyquinolin-6-yl]-2-methoxyacetamide
CID 53001321
methyl 2-[6-(benzylcarbamoylamino)-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate
CID 50827652
methyl 2-[6-[(4-chlorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385061
ethyl 2-[6-(benzylcarbamoylamino)-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate
CID 50827545
1-(5-chloro-2-methylphenyl)-3-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]urea
CID 50828072
methyl 2-[6-[(3-fluorophenyl)methylcarbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385080
1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea
CID 50827540
N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]benzamide
CID 53001311
N-[4-methoxy-2-(4-methoxyphenyl)quinolin-6-yl]benzamide
CID 53113445
1-(5-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea
CID 50827606
ethyl 2-[6-[(4-fluorophenyl)methylcarbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385090
methyl 2-[2-(4-chlorophenyl)-6-[(2-methoxyacetyl)amino]quinolin-4-yl]oxyacetate
CID 53113644

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(4-chlorophenyl)-4-methoxyquinolin-6-yl]urea?
The IUPAC name of 1-benzyl-3-[2-(4-chlorophenyl)-4-methoxyquinolin-6-yl]urea (CID 50827654) is 1-benzyl-3-[2-(4-chlorophenyl)-4-methoxyquinolin-6-yl]urea.
What is the SMILES notation for 1-benzyl-3-[2-(4-chlorophenyl)-4-methoxyquinolin-6-yl]urea?
The canonical SMILES for 1-benzyl-3-[2-(4-chlorophenyl)-4-methoxyquinolin-6-yl]urea is COc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)NCc3ccccc3)cc12.
What is the InChIKey of 1-benzyl-3-[2-(4-chlorophenyl)-4-methoxyquinolin-6-yl]urea?
The InChIKey is LPLIAIJAMLEUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O2/c1-30-23-14-22(17-7-9-18(25)10-8-17)28-21-12-11-19(13-20(21)23)27-24(29)26-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H2,26,27,29).
What are the key properties of 1-benzyl-3-[2-(4-chlorophenyl)-4-methoxyquinolin-6-yl]urea?
1-benzyl-3-[2-(4-chlorophenyl)-4-methoxyquinolin-6-yl]urea has a molecular weight of 417.90 g/mol, XLogP of 5.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(4-chlorophenyl)-4-methoxyquinolin-6-yl]urea is sourced from PubChem (CID 50827654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).