1-(2,3-dichlorophenyl)-3-(2-methylquinolin-4-yl)urea

C17H13Cl2N3O — CID 22745153

IUPAC1-(2,3-dichlorophenyl)-3-(2-methylquinolin-4-yl)urea
SMILESCc1cc(NC(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1
InChIInChI=1S/C17H13Cl2N3O/c1-10-9-15(11-5-2-3-7-13(11)20-10)22-17(23)21-14-8-4-6-12(18)16(14)19/h2-9H,1H3,(H2,20,21,22,23)
InChIKeySNNOGMLIXXEHLG-UHFFFAOYSA-N
MW346.22 g/mol
LogP5.49
Rot. Bonds2

About 1-(2,3-dichlorophenyl)-3-(2-methylquinolin-4-yl)urea

1-(2,3-dichlorophenyl)-3-(2-methylquinolin-4-yl)urea (PubChem CID 22745153) has the molecular formula C17H13Cl2N3O and a molecular weight of 346.22 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-(2-methylquinolin-4-yl)urea.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-(2-methylquinolin-4-yl)urea
PubChem CID22745153
Molecular FormulaC17H13Cl2N3O
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name1-(2,3-dichlorophenyl)-3-(2-methylquinolin-4-yl)urea
SMILESCc1cc(NC(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1
InChIInChI=1S/C17H13Cl2N3O/c1-10-9-15(11-5-2-3-7-13(11)20-10)22-17(23)21-14-8-4-6-12(18)16(14)19/h2-9H,1H3,(H2,20,21,22,23)
InChIKeySNNOGMLIXXEHLG-UHFFFAOYSA-N
XLogP5.49
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.22
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexanecarboxamide, N-(2-((3,4-dichlorophenyl)amino)-4-quinolinyl)-
CID 25191023
Diarylurea 3
CID 2824466
[(3-chlorophenyl)amino]-N-(2-methyl(4-quinolyl))carboxamide
CID 4536829
N-(3-chloro-4-methylphenyl)-N'-(2-methyl-4-quinolinyl) urea
CID 9949224
1-(3,5-Dichlorophenyl)-3-(2-methylquinolin-4-yl)urea
CID 9950105
1-(3,5-Dichlorophenyl)-3-quinolin-4-ylurea;hydrochloride
CID 18475668
1-{4-[Bis(2-chloroethyl)amino]phenyl}-3-(2-methylquinolin-4-yl)urea
CID 25018311
1-(4-Chlorophenyl)-3-(3-quinolin-2-ylphenyl)urea
CID 135376128
(3-Chloro-phenyl)-(2-methyl-quinolin-4-yl)-amine
CID 772378
4-Amino-7,8-dichloro-2-methylquinoline
CID 17039646
N1-(3-chlorophenyl)-2-[2-(trifluoromethyl)-4-quinolyl]hydrazine-1-carboxamide
CID 2822141
[(3,4-dichlorophenyl)amino]-N-(2-methyl(4-quinolyl))carboxamide
CID 4673551

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-(2-methylquinolin-4-yl)urea?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-(2-methylquinolin-4-yl)urea (CID 22745153) is 1-(2,3-dichlorophenyl)-3-(2-methylquinolin-4-yl)urea.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-(2-methylquinolin-4-yl)urea?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-(2-methylquinolin-4-yl)urea is Cc1cc(NC(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-(2-methylquinolin-4-yl)urea?
The InChIKey is SNNOGMLIXXEHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O/c1-10-9-15(11-5-2-3-7-13(11)20-10)22-17(23)21-14-8-4-6-12(18)16(14)19/h2-9H,1H3,(H2,20,21,22,23).
What are the key properties of 1-(2,3-dichlorophenyl)-3-(2-methylquinolin-4-yl)urea?
1-(2,3-dichlorophenyl)-3-(2-methylquinolin-4-yl)urea has a molecular weight of 346.22 g/mol, XLogP of 5.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-(2-methylquinolin-4-yl)urea is sourced from PubChem (CID 22745153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).