3-(2-fluorophenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea

C18H16FN3O2 — CID 50749466

IUPAC3-(2-fluorophenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
SMILESCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccccc1F
InChIInChI=1S/C18H16FN3O2/c1-22(18(24)21-16-9-5-3-7-14(16)19)11-12-10-17(23)20-15-8-4-2-6-13(12)15/h2-10H,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyJKTKQCZFGNDMGD-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.33
Rot. Bonds3

About 3-(2-fluorophenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea

3-(2-fluorophenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea (PubChem CID 50749466) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
PubChem CID50749466
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name3-(2-fluorophenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
SMILESCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccccc1F
InChIInChI=1S/C18H16FN3O2/c1-22(18(24)21-16-9-5-3-7-14(16)19)11-12-10-17(23)20-15-8-4-2-6-13(12)15/h2-10H,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyJKTKQCZFGNDMGD-UHFFFAOYSA-N
XLogP3.33
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-dimethylphenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749594
1-methyl-3-(3-methylsulfanylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749451
1-[(2,4-difluorophenyl)methyl]-3-(2-fluorophenyl)-1-methylurea
CID 24664813
3-(2,3-dimethylphenyl)-1-ethyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749278
3-(4-chlorophenyl)-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 4969773
2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide
CID 7555926
3-(2,5-dimethylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propan-2-ylurea
CID 50749328
1-[(4-bromothiophen-2-yl)methyl]-3-(2-fluorophenyl)-1-methylurea
CID 47278857
N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylacetamide
CID 664652
3-(2-fluorophenyl)-1-(2-hydroxypropyl)-1-methylurea
CID 62334084
3-(4-chlorophenyl)-1-(2-methylpropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749499
1-(2-amino-2-hydroxyiminoethyl)-3-(2-fluorophenyl)-1-methylurea
CID 76929064

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea?
The IUPAC name of 3-(2-fluorophenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea (CID 50749466) is 3-(2-fluorophenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea.
What is the SMILES notation for 3-(2-fluorophenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea?
The canonical SMILES for 3-(2-fluorophenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea is CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea?
The InChIKey is JKTKQCZFGNDMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-22(18(24)21-16-9-5-3-7-14(16)19)11-12-10-17(23)20-15-8-4-2-6-13(12)15/h2-10H,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 3-(2-fluorophenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea?
3-(2-fluorophenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea has a molecular weight of 325.34 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea is sourced from PubChem (CID 50749466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).