1-(3,4-dichlorophenyl)-3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]urea

C25H20Cl2N4O2 — CID 994737

IUPAC1-(3,4-dichlorophenyl)-3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]urea
SMILESCc1ccc(-c2cc(C(=O)NNC(=O)Nc3ccc(Cl)c(Cl)c3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C25H20Cl2N4O2/c1-14-7-9-17(15(2)11-14)23-13-19(18-5-3-4-6-22(18)29-23)24(32)30-31-25(33)28-16-8-10-20(26)21(27)12-16/h3-13H,1-2H3,(H,30,32)(H2,28,31,33)
InChIKeyFMIXTFXMAOBIRA-UHFFFAOYSA-N
MW479.37 g/mol
LogP6.29
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]urea

1-(3,4-dichlorophenyl)-3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]urea (PubChem CID 994737) has the molecular formula C25H20Cl2N4O2 and a molecular weight of 479.37 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]urea
PubChem CID994737
Molecular FormulaC25H20Cl2N4O2
Molecular Weight479.37 g/mol
Exact Mass478.10
IUPAC Name1-(3,4-dichlorophenyl)-3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]urea
SMILESCc1ccc(-c2cc(C(=O)NNC(=O)Nc3ccc(Cl)c(Cl)c3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C25H20Cl2N4O2/c1-14-7-9-17(15(2)11-14)23-13-19(18-5-3-4-6-22(18)29-23)24(32)30-31-25(33)28-16-8-10-20(26)21(27)12-16/h3-13H,1-2H3,(H,30,32)(H2,28,31,33)
InChIKeyFMIXTFXMAOBIRA-UHFFFAOYSA-N
XLogP6.29
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.37
LogP ≤ 56.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4178944
N-(2,4-dichlorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4306241
N-(5-acetamido-2-methoxyphenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 26243054
N-(4-chloro-2-fluorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 3298781
N-[3-(dimethylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 32849375
7-acetamido-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid
CID 18073634
2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide
CID 4613424
N-(4-chlorophenyl)-2-(2-methylphenyl)quinoline-4-carboxamide
CID 5069156
N-(3,4-dichlorophenyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 3131018
2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 3129381
2-(2,4-dichlorophenyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 5072505
2-(2,4-dimethylphenyl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 1010315

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]urea (CID 994737) is 1-(3,4-dichlorophenyl)-3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]urea is Cc1ccc(-c2cc(C(=O)NNC(=O)Nc3ccc(Cl)c(Cl)c3)c3ccccc3n2)c(C)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]urea?
The InChIKey is FMIXTFXMAOBIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N4O2/c1-14-7-9-17(15(2)11-14)23-13-19(18-5-3-4-6-22(18)29-23)24(32)30-31-25(33)28-16-8-10-20(26)21(27)12-16/h3-13H,1-2H3,(H,30,32)(H2,28,31,33).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]urea?
1-(3,4-dichlorophenyl)-3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]urea has a molecular weight of 479.37 g/mol, XLogP of 6.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]urea is sourced from PubChem (CID 994737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).