1-(5-bromoquinolin-8-yl)-3-(3-fluorophenyl)urea

C16H11BrFN3O — CID 35286932

IUPAC1-(5-bromoquinolin-8-yl)-3-(3-fluorophenyl)urea
SMILESO=C(Nc1cccc(F)c1)Nc1ccc(Br)c2cccnc12
InChIInChI=1S/C16H11BrFN3O/c17-13-6-7-14(15-12(13)5-2-8-19-15)21-16(22)20-11-4-1-3-10(18)9-11/h1-9H,(H2,20,21,22)
InChIKeyMUHNOLALWZFDJZ-UHFFFAOYSA-N
MW360.19 g/mol
LogP4.78
Rot. Bonds2

About 1-(5-bromoquinolin-8-yl)-3-(3-fluorophenyl)urea

1-(5-bromoquinolin-8-yl)-3-(3-fluorophenyl)urea (PubChem CID 35286932) has the molecular formula C16H11BrFN3O and a molecular weight of 360.19 g/mol. Its IUPAC name is 1-(5-bromoquinolin-8-yl)-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-(5-bromoquinolin-8-yl)-3-(3-fluorophenyl)urea
PubChem CID35286932
Molecular FormulaC16H11BrFN3O
Molecular Weight360.19 g/mol
Exact Mass359.01
IUPAC Name1-(5-bromoquinolin-8-yl)-3-(3-fluorophenyl)urea
SMILESO=C(Nc1cccc(F)c1)Nc1ccc(Br)c2cccnc12
InChIInChI=1S/C16H11BrFN3O/c17-13-6-7-14(15-12(13)5-2-8-19-15)21-16(22)20-11-4-1-3-10(18)9-11/h1-9H,(H2,20,21,22)
InChIKeyMUHNOLALWZFDJZ-UHFFFAOYSA-N
XLogP4.78
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.19
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromoquinolin-8-yl)-3-(3-fluorophenyl)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

2-[(5-bromoquinolin-8-yl)amino]-2-oxoacetic acid
CID 22742503
N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide
CID 35286890
N-(5-bromoquinolin-8-yl)butanamide
CID 35287139
1-(4-bromo-2-methylphenyl)-3-(3-fluorophenyl)urea
CID 54911411
1-(4-bromo-2-ethylphenyl)-3-(3-fluorophenyl)urea
CID 81290117
2-[2-[(5-bromoquinolin-8-yl)amino]-2-oxoethyl]benzoic acid
CID 56761360
1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-4-fluorophenyl)urea
CID 61340199
methyl 5-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzoate
CID 134104777
1-(5-amino-2,4-dimethylphenyl)-3-(3-fluorophenyl)urea
CID 104757285
1-(3-fluorophenyl)-3-[6-(methylamino)-3-pyridinyl]urea
CID 146121634
1-(4-cyano-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)urea
CID 79503956
2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline
CID 115959082

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromoquinolin-8-yl)-3-(3-fluorophenyl)urea?
The IUPAC name of 1-(5-bromoquinolin-8-yl)-3-(3-fluorophenyl)urea (CID 35286932) is 1-(5-bromoquinolin-8-yl)-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-(5-bromoquinolin-8-yl)-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-(5-bromoquinolin-8-yl)-3-(3-fluorophenyl)urea is O=C(Nc1cccc(F)c1)Nc1ccc(Br)c2cccnc12.
What is the InChIKey of 1-(5-bromoquinolin-8-yl)-3-(3-fluorophenyl)urea?
The InChIKey is MUHNOLALWZFDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFN3O/c17-13-6-7-14(15-12(13)5-2-8-19-15)21-16(22)20-11-4-1-3-10(18)9-11/h1-9H,(H2,20,21,22).
What are the key properties of 1-(5-bromoquinolin-8-yl)-3-(3-fluorophenyl)urea?
1-(5-bromoquinolin-8-yl)-3-(3-fluorophenyl)urea has a molecular weight of 360.19 g/mol, XLogP of 4.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromoquinolin-8-yl)-3-(3-fluorophenyl)urea is sourced from PubChem (CID 35286932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).