1-(2-fluorophenyl)-3-(2-methylquinolin-4-yl)urea

C17H14FN3O — CID 5052662

IUPAC1-(2-fluorophenyl)-3-(2-methylquinolin-4-yl)urea
SMILESCc1cc(NC(=O)Nc2ccccc2F)c2ccccc2n1
InChIInChI=1S/C17H14FN3O/c1-11-10-16(12-6-2-4-8-14(12)19-11)21-17(22)20-15-9-5-3-7-13(15)18/h2-10H,1H3,(H2,19,20,21,22)
InChIKeyNCDCHPMCNVQSPX-UHFFFAOYSA-N
MW295.32 g/mol
LogP4.33
Rot. Bonds2

About 1-(2-fluorophenyl)-3-(2-methylquinolin-4-yl)urea

1-(2-fluorophenyl)-3-(2-methylquinolin-4-yl)urea (PubChem CID 5052662) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(2-methylquinolin-4-yl)urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(2-methylquinolin-4-yl)urea
PubChem CID5052662
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC Name1-(2-fluorophenyl)-3-(2-methylquinolin-4-yl)urea
SMILESCc1cc(NC(=O)Nc2ccccc2F)c2ccccc2n1
InChIInChI=1S/C17H14FN3O/c1-11-10-16(12-6-2-4-8-14(12)19-11)21-17(22)20-15-9-5-3-7-13(15)18/h2-10H,1H3,(H2,19,20,21,22)
InChIKeyNCDCHPMCNVQSPX-UHFFFAOYSA-N
XLogP4.33
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(2-methylquinolin-4-yl)urea?
The IUPAC name of 1-(2-fluorophenyl)-3-(2-methylquinolin-4-yl)urea (CID 5052662) is 1-(2-fluorophenyl)-3-(2-methylquinolin-4-yl)urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(2-methylquinolin-4-yl)urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-(2-methylquinolin-4-yl)urea is Cc1cc(NC(=O)Nc2ccccc2F)c2ccccc2n1.
What is the InChIKey of 1-(2-fluorophenyl)-3-(2-methylquinolin-4-yl)urea?
The InChIKey is NCDCHPMCNVQSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c1-11-10-16(12-6-2-4-8-14(12)19-11)21-17(22)20-15-9-5-3-7-13(15)18/h2-10H,1H3,(H2,19,20,21,22).
What are the key properties of 1-(2-fluorophenyl)-3-(2-methylquinolin-4-yl)urea?
1-(2-fluorophenyl)-3-(2-methylquinolin-4-yl)urea has a molecular weight of 295.32 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(2-methylquinolin-4-yl)urea is sourced from PubChem (CID 5052662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).