1-(6-chloro-4-phenylquinolin-3-yl)-3-(4-fluorophenyl)urea

C22H15ClFN3O — CID 10453084

IUPAC1-(6-chloro-4-phenylquinolin-3-yl)-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1cnc2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C22H15ClFN3O/c23-15-6-11-19-18(12-15)21(14-4-2-1-3-5-14)20(13-25-19)27-22(28)26-17-9-7-16(24)8-10-17/h1-13H,(H2,26,27,28)
InChIKeyVYYASLPBWNMLET-UHFFFAOYSA-N
MW391.83 g/mol
LogP6.34
Rot. Bonds3

About 1-(6-chloro-4-phenylquinolin-3-yl)-3-(4-fluorophenyl)urea

1-(6-chloro-4-phenylquinolin-3-yl)-3-(4-fluorophenyl)urea (PubChem CID 10453084) has the molecular formula C22H15ClFN3O and a molecular weight of 391.83 g/mol. Its IUPAC name is 1-(6-chloro-4-phenylquinolin-3-yl)-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(6-chloro-4-phenylquinolin-3-yl)-3-(4-fluorophenyl)urea
PubChem CID10453084
Molecular FormulaC22H15ClFN3O
Molecular Weight391.83 g/mol
Exact Mass391.09
IUPAC Name1-(6-chloro-4-phenylquinolin-3-yl)-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1cnc2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C22H15ClFN3O/c23-15-6-11-19-18(12-15)21(14-4-2-1-3-5-14)20(13-25-19)27-22(28)26-17-9-7-16(24)8-10-17/h1-13H,(H2,26,27,28)
InChIKeyVYYASLPBWNMLET-UHFFFAOYSA-N
XLogP6.34
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.83
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-chloro-4-phenylquinolin-3-yl)acetamide
CID 10424681
1-(2,4-difluorophenyl)-3-(6-methyl-4-phenylquinolin-3-yl)urea
CID 10045848
N-(6-chloro-4-phenylquinolin-3-yl)-2-phenylacetamide
CID 54395072
1-(6-chloro-4-phenylquinolin-3-yl)-3-(2,4-dimethoxyphenyl)urea
CID 10071543
1-[6-chloro-4-(2-methylphenyl)quinolin-3-yl]-3-(4-fluoro-3-nitrophenyl)urea
CID 15035149
3,5-ditert-butyl-N-(6-chloro-4-phenylquinolin-3-yl)-4-hydroxybenzamide
CID 22403898
methyl 6-chloro-4-phenylquinoline-3-carboxylate
CID 10447368
(6-chloro-4-phenylquinolin-3-yl) acetate
CID 174381522
1-[6-chloro-4-(2-methylphenyl)quinolin-3-yl]-3-[2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-yl]urea
CID 23355176
(6-chloro-4-phenylquinolin-3-yl)methanol
CID 21463132
1-(4-fluorophenyl)-3-(2,4,5-trichlorophenyl)urea
CID 3251975
1-(4-phenylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108867200

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-4-phenylquinolin-3-yl)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(6-chloro-4-phenylquinolin-3-yl)-3-(4-fluorophenyl)urea (CID 10453084) is 1-(6-chloro-4-phenylquinolin-3-yl)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(6-chloro-4-phenylquinolin-3-yl)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(6-chloro-4-phenylquinolin-3-yl)-3-(4-fluorophenyl)urea is O=C(Nc1ccc(F)cc1)Nc1cnc2ccc(Cl)cc2c1-c1ccccc1.
What is the InChIKey of 1-(6-chloro-4-phenylquinolin-3-yl)-3-(4-fluorophenyl)urea?
The InChIKey is VYYASLPBWNMLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN3O/c23-15-6-11-19-18(12-15)21(14-4-2-1-3-5-14)20(13-25-19)27-22(28)26-17-9-7-16(24)8-10-17/h1-13H,(H2,26,27,28).
What are the key properties of 1-(6-chloro-4-phenylquinolin-3-yl)-3-(4-fluorophenyl)urea?
1-(6-chloro-4-phenylquinolin-3-yl)-3-(4-fluorophenyl)urea has a molecular weight of 391.83 g/mol, XLogP of 6.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-4-phenylquinolin-3-yl)-3-(4-fluorophenyl)urea is sourced from PubChem (CID 10453084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).