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

C17H17N3O2 — CID 30376036

IUPAC1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylurea
SMILESCN1C(=O)CCc2cc(NC(=O)Nc3ccccc3)ccc21
InChIInChI=1S/C17H17N3O2/c1-20-15-9-8-14(11-12(15)7-10-16(20)21)19-17(22)18-13-5-3-2-4-6-13/h2-6,8-9,11H,7,10H2,1H3,(H2,18,19,22)
InChIKeyJJTYZFNEAUDJOU-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.24
Rot. Bonds2

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

1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylurea (PubChem CID 30376036) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylurea
PubChem CID30376036
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylurea
SMILESCN1C(=O)CCc2cc(NC(=O)Nc3ccccc3)ccc21
InChIInChI=1S/C17H17N3O2/c1-20-15-9-8-14(11-12(15)7-10-16(20)21)19-17(22)18-13-5-3-2-4-6-13/h2-6,8-9,11H,7,10H2,1H3,(H2,18,19,22)
InChIKeyJJTYZFNEAUDJOU-UHFFFAOYSA-N
XLogP3.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376046
1-benzhydryl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376078
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
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
1-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-3-phenylurea
CID 110774643
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)furan-2-carboxamide
CID 18571249
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)cyclohexanecarboxamide
CID 40829137

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylurea?
The IUPAC name of 1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylurea (CID 30376036) is 1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylurea.
What is the SMILES notation for 1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylurea?
The canonical SMILES for 1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylurea is CN1C(=O)CCc2cc(NC(=O)Nc3ccccc3)ccc21.
What is the InChIKey of 1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylurea?
The InChIKey is JJTYZFNEAUDJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-20-15-9-8-14(11-12(15)7-10-16(20)21)19-17(22)18-13-5-3-2-4-6-13/h2-6,8-9,11H,7,10H2,1H3,(H2,18,19,22).
What are the key properties of 1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylurea?
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylurea has a molecular weight of 295.34 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylurea is sourced from PubChem (CID 30376036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).