1-(4-fluorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea

C17H16FN3O2 — CID 30376046

IUPAC1-(4-fluorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
SMILESCN1C(=O)CCc2cc(NC(=O)Nc3ccc(F)cc3)ccc21
InChIInChI=1S/C17H16FN3O2/c1-21-15-8-7-14(10-11(15)2-9-16(21)22)20-17(23)19-13-5-3-12(18)4-6-13/h3-8,10H,2,9H2,1H3,(H2,19,20,23)
InChIKeyWVQVWMWIQOCBQA-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.38
Rot. Bonds2

About 1-(4-fluorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea

1-(4-fluorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea (PubChem CID 30376046) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
PubChem CID30376046
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name1-(4-fluorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
SMILESCN1C(=O)CCc2cc(NC(=O)Nc3ccc(F)cc3)ccc21
InChIInChI=1S/C17H16FN3O2/c1-21-15-8-7-14(10-11(15)2-9-16(21)22)20-17(23)19-13-5-3-12(18)4-6-13/h3-8,10H,2,9H2,1H3,(H2,19,20,23)
InChIKeyWVQVWMWIQOCBQA-UHFFFAOYSA-N
XLogP3.38
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylurea
CID 30376036
1-(3,4-dichlorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376030
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-thiophen-2-ylurea
CID 30376060
1-(1,3-benzodioxol-5-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376109
3-fluoro-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 18571247
1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6-oxopyridazine-3-carboxamide
CID 136523875
1-benzhydryl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376078
1-(1-methyl-2-oxo-3H-indol-5-yl)-3-(4-methylphenyl)urea
CID 30375662
4-tert-butyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 18571261
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)cyclohexanecarboxamide
CID 40829137
2-chloro-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 27421932
2-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 40805138

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea (CID 30376046) is 1-(4-fluorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea is CN1C(=O)CCc2cc(NC(=O)Nc3ccc(F)cc3)ccc21.
What is the InChIKey of 1-(4-fluorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea?
The InChIKey is WVQVWMWIQOCBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-21-15-8-7-14(10-11(15)2-9-16(21)22)20-17(23)19-13-5-3-12(18)4-6-13/h3-8,10H,2,9H2,1H3,(H2,19,20,23).
What are the key properties of 1-(4-fluorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea?
1-(4-fluorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea has a molecular weight of 313.33 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea is sourced from PubChem (CID 30376046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).