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

C22H14ClF2N3O — CID 10047136

IUPAC1-[4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1cnc2ccccc2c1-c1ccccc1Cl
InChIInChI=1S/C22H14ClF2N3O/c23-16-7-3-1-5-14(16)21-15-6-2-4-8-18(15)26-12-20(21)28-22(29)27-19-10-9-13(24)11-17(19)25/h1-12H,(H2,27,28,29)
InChIKeyXAEZWDBLMMMZIT-UHFFFAOYSA-N
MW409.82 g/mol
LogP6.48
Rot. Bonds3

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

1-[4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea (PubChem CID 10047136) has the molecular formula C22H14ClF2N3O and a molecular weight of 409.82 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea
PubChem CID10047136
Molecular FormulaC22H14ClF2N3O
Molecular Weight409.82 g/mol
Exact Mass409.08
IUPAC Name1-[4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1cnc2ccccc2c1-c1ccccc1Cl
InChIInChI=1S/C22H14ClF2N3O/c23-16-7-3-1-5-14(16)21-15-6-2-4-8-18(15)26-12-20(21)28-22(29)27-19-10-9-13(24)11-17(19)25/h1-12H,(H2,27,28,29)
InChIKeyXAEZWDBLMMMZIT-UHFFFAOYSA-N
XLogP6.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.82
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-[4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea (CID 10047136) is 1-[4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-[4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-[4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea is O=C(Nc1ccc(F)cc1F)Nc1cnc2ccccc2c1-c1ccccc1Cl.
What is the InChIKey of 1-[4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea?
The InChIKey is XAEZWDBLMMMZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF2N3O/c23-16-7-3-1-5-14(16)21-15-6-2-4-8-18(15)26-12-20(21)28-22(29)27-19-10-9-13(24)11-17(19)25/h1-12H,(H2,27,28,29).
What are the key properties of 1-[4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea?
1-[4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea has a molecular weight of 409.82 g/mol, XLogP of 6.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 10047136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).