1-(4-chloro-3-quinolin-4-ylphenyl)-3-(2,4-dichlorophenyl)urea

C22H14Cl3N3O — CID 70366700

IUPAC1-(4-chloro-3-quinolin-4-ylphenyl)-3-(2,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)c(-c2ccnc3ccccc23)c1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H14Cl3N3O/c23-13-5-8-21(19(25)11-13)28-22(29)27-14-6-7-18(24)17(12-14)15-9-10-26-20-4-2-1-3-16(15)20/h1-12H,(H2,27,28,29)
InChIKeyKWTSPNLBIUCGFY-UHFFFAOYSA-N
MW442.73 g/mol
LogP7.51
Rot. Bonds3

About 1-(4-chloro-3-quinolin-4-ylphenyl)-3-(2,4-dichlorophenyl)urea

1-(4-chloro-3-quinolin-4-ylphenyl)-3-(2,4-dichlorophenyl)urea (PubChem CID 70366700) has the molecular formula C22H14Cl3N3O and a molecular weight of 442.73 g/mol. Its IUPAC name is 1-(4-chloro-3-quinolin-4-ylphenyl)-3-(2,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(4-chloro-3-quinolin-4-ylphenyl)-3-(2,4-dichlorophenyl)urea
PubChem CID70366700
Molecular FormulaC22H14Cl3N3O
Molecular Weight442.73 g/mol
Exact Mass441.02
IUPAC Name1-(4-chloro-3-quinolin-4-ylphenyl)-3-(2,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)c(-c2ccnc3ccccc23)c1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H14Cl3N3O/c23-13-5-8-21(19(25)11-13)28-22(29)27-14-6-7-18(24)17(12-14)15-9-10-26-20-4-2-1-3-16(15)20/h1-12H,(H2,27,28,29)
InChIKeyKWTSPNLBIUCGFY-UHFFFAOYSA-N
XLogP7.51
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.73
LogP ≤ 57.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-3-pyridin-3-ylurea
CID 3994543
1-(2-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788337
1-quinolin-4-yl-3-quinolin-6-ylurea
CID 18475500
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dichlorophenyl)urea
CID 2738352
1-(1,2,3-benzothiadiazol-5-yl)-3-(2,4-dichlorophenyl)urea
CID 3784740
N-[3-chloro-4-[(3-quinazolin-4-ylphenyl)carbamoylamino]phenyl]acetamide
CID 70933844
1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea
CID 27036650
1-(4-acetylphenyl)-3-(2,4-dichlorophenyl)urea
CID 17283819
N-(2,5-dichlorophenyl)-2-ethoxy-2-quinolin-4-ylacetamide
CID 127037341
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 6470856
1-(2-chloro-4-pyridinyl)-3-naphthalen-1-ylurea
CID 27190760
1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea
CID 4251822

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-quinolin-4-ylphenyl)-3-(2,4-dichlorophenyl)urea?
The IUPAC name of 1-(4-chloro-3-quinolin-4-ylphenyl)-3-(2,4-dichlorophenyl)urea (CID 70366700) is 1-(4-chloro-3-quinolin-4-ylphenyl)-3-(2,4-dichlorophenyl)urea.
What is the SMILES notation for 1-(4-chloro-3-quinolin-4-ylphenyl)-3-(2,4-dichlorophenyl)urea?
The canonical SMILES for 1-(4-chloro-3-quinolin-4-ylphenyl)-3-(2,4-dichlorophenyl)urea is O=C(Nc1ccc(Cl)c(-c2ccnc3ccccc23)c1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(4-chloro-3-quinolin-4-ylphenyl)-3-(2,4-dichlorophenyl)urea?
The InChIKey is KWTSPNLBIUCGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl3N3O/c23-13-5-8-21(19(25)11-13)28-22(29)27-14-6-7-18(24)17(12-14)15-9-10-26-20-4-2-1-3-16(15)20/h1-12H,(H2,27,28,29).
What are the key properties of 1-(4-chloro-3-quinolin-4-ylphenyl)-3-(2,4-dichlorophenyl)urea?
1-(4-chloro-3-quinolin-4-ylphenyl)-3-(2,4-dichlorophenyl)urea has a molecular weight of 442.73 g/mol, XLogP of 7.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-quinolin-4-ylphenyl)-3-(2,4-dichlorophenyl)urea is sourced from PubChem (CID 70366700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).