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

C17H15Cl2N3O2 — CID 30376030

IUPAC1-(3,4-dichlorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
SMILESCN1C(=O)CCc2cc(NC(=O)Nc3ccc(Cl)c(Cl)c3)ccc21
InChIInChI=1S/C17H15Cl2N3O2/c1-22-15-6-4-11(8-10(15)2-7-16(22)23)20-17(24)21-12-3-5-13(18)14(19)9-12/h3-6,8-9H,2,7H2,1H3,(H2,20,21,24)
InChIKeyHJUGHMXZEZEVSY-UHFFFAOYSA-N
MW364.23 g/mol
LogP4.55
Rot. Bonds2

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

1-(3,4-dichlorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea (PubChem CID 30376030) has the molecular formula C17H15Cl2N3O2 and a molecular weight of 364.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
PubChem CID30376030
Molecular FormulaC17H15Cl2N3O2
Molecular Weight364.23 g/mol
Exact Mass363.05
IUPAC Name1-(3,4-dichlorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
SMILESCN1C(=O)CCc2cc(NC(=O)Nc3ccc(Cl)c(Cl)c3)ccc21
InChIInChI=1S/C17H15Cl2N3O2/c1-22-15-6-4-11(8-10(15)2-7-16(22)23)20-17(24)21-12-3-5-13(18)14(19)9-12/h3-6,8-9H,2,7H2,1H3,(H2,20,21,24)
InChIKeyHJUGHMXZEZEVSY-UHFFFAOYSA-N
XLogP4.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dichlorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea with MolForge

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Related Compounds

1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylurea
CID 30376036
1-(4-fluorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376046
1-(3,4-dichlorophenyl)-3-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]urea
CID 30376866
1-benzhydryl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376078
2-chloro-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 27421932
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
1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea
CID 30376488
4-tert-butyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 18571261
2-(3-chloro-4-methoxyphenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)acetamide
CID 71842987
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)cyclohexanecarboxamide
CID 40829137
3-amino-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide
CID 115180262

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea (CID 30376030) is 1-(3,4-dichlorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea is CN1C(=O)CCc2cc(NC(=O)Nc3ccc(Cl)c(Cl)c3)ccc21.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea?
The InChIKey is HJUGHMXZEZEVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2/c1-22-15-6-4-11(8-10(15)2-7-16(22)23)20-17(24)21-12-3-5-13(18)14(19)9-12/h3-6,8-9H,2,7H2,1H3,(H2,20,21,24).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea?
1-(3,4-dichlorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea has a molecular weight of 364.23 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea is sourced from PubChem (CID 30376030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).