1-[8-chloro-4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea

C22H13Cl2F2N3O — CID 67786930

IUPAC1-[8-chloro-4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1cnc2c(Cl)cccc2c1-c1ccccc1Cl
InChIInChI=1S/C22H13Cl2F2N3O/c23-15-6-2-1-4-13(15)20-14-5-3-7-16(24)21(14)27-11-19(20)29-22(30)28-18-9-8-12(25)10-17(18)26/h1-11H,(H2,28,29,30)
InChIKeyUTFVJURADDRQIG-UHFFFAOYSA-N
MW444.27 g/mol
LogP7.13
Rot. Bonds3

About 1-[8-chloro-4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea

1-[8-chloro-4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea (PubChem CID 67786930) has the molecular formula C22H13Cl2F2N3O and a molecular weight of 444.27 g/mol. Its IUPAC name is 1-[8-chloro-4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-[8-chloro-4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea
PubChem CID67786930
Molecular FormulaC22H13Cl2F2N3O
Molecular Weight444.27 g/mol
Exact Mass443.04
IUPAC Name1-[8-chloro-4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1cnc2c(Cl)cccc2c1-c1ccccc1Cl
InChIInChI=1S/C22H13Cl2F2N3O/c23-15-6-2-1-4-13(15)20-14-5-3-7-16(24)21(14)27-11-19(20)29-22(30)28-18-9-8-12(25)10-17(18)26/h1-11H,(H2,28,29,30)
InChIKeyUTFVJURADDRQIG-UHFFFAOYSA-N
XLogP7.13
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.27
LogP ≤ 57.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-chlorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]-3-(2,4-difluorophenyl)urea
CID 19787165
1-[3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-yl]-3-(2,4-difluorophenyl)urea
CID 15285310
1-[3-(2-chlorophenyl)-5,6-dimethyl-1-benzothiophen-2-yl]-3-(2,4-difluorophenyl)urea
CID 18688840
1-(2,4-difluorophenyl)-3-(6-methyl-4-phenylquinolin-3-yl)urea
CID 10045848
1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea
CID 898171
1-(2-chloro-4-hydroxyphenyl)-3-(2,4-difluorophenyl)urea
CID 64789111
1-(2,5-dichlorothiophen-3-yl)-3-(2,4-difluorophenyl)urea
CID 2805628
2-chloro-N-(2,4-difluorophenyl)-6-(2-oxobutyl)benzamide
CID 144543963
2-(2-chloroanilino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268688
1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea
CID 27138045
1-[4-(2-chlorophenyl)-6,8-dimethylquinolin-3-yl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)urea
CID 15035155
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2,4-difluorophenyl)acetamide
CID 113201414

Frequently Asked Questions

What is the IUPAC name of 1-[8-chloro-4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-[8-chloro-4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea (CID 67786930) is 1-[8-chloro-4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-[8-chloro-4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-[8-chloro-4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea is O=C(Nc1ccc(F)cc1F)Nc1cnc2c(Cl)cccc2c1-c1ccccc1Cl.
What is the InChIKey of 1-[8-chloro-4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea?
The InChIKey is UTFVJURADDRQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2F2N3O/c23-15-6-2-1-4-13(15)20-14-5-3-7-16(24)21(14)27-11-19(20)29-22(30)28-18-9-8-12(25)10-17(18)26/h1-11H,(H2,28,29,30).
What are the key properties of 1-[8-chloro-4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea?
1-[8-chloro-4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea has a molecular weight of 444.27 g/mol, XLogP of 7.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-chloro-4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 67786930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).