1-(4-chlorophenyl)-3-(3-quinolin-2-ylphenyl)urea

C22H16ClN3O — CID 135376128

IUPAC1-(4-chlorophenyl)-3-(3-quinolin-2-ylphenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2ccc3ccccc3n2)c1
InChIInChI=1S/C22H16ClN3O/c23-17-9-11-18(12-10-17)24-22(27)25-19-6-3-5-16(14-19)21-13-8-15-4-1-2-7-20(15)26-21/h1-14H,(H2,24,25,27)
InChIKeyCXVDEJXZIKZRKK-UHFFFAOYSA-N
MW373.84 g/mol
LogP6.20
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(3-quinolin-2-ylphenyl)urea

1-(4-chlorophenyl)-3-(3-quinolin-2-ylphenyl)urea (PubChem CID 135376128) has the molecular formula C22H16ClN3O and a molecular weight of 373.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3-quinolin-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3-quinolin-2-ylphenyl)urea
PubChem CID135376128
Molecular FormulaC22H16ClN3O
Molecular Weight373.84 g/mol
Exact Mass373.10
IUPAC Name1-(4-chlorophenyl)-3-(3-quinolin-2-ylphenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2ccc3ccccc3n2)c1
InChIInChI=1S/C22H16ClN3O/c23-17-9-11-18(12-10-17)24-22(27)25-19-6-3-5-16(14-19)21-13-8-15-4-1-2-7-20(15)26-21/h1-14H,(H2,24,25,27)
InChIKeyCXVDEJXZIKZRKK-UHFFFAOYSA-N
XLogP6.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.84
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Aminoquinuride hydrochloride
CID 79472
1-(4-Chlorophenyl)-3-quinolin-8-ylurea
CID 699033
(E)-N-(4-amino-2-methylquinolin-6-yl)-3-(2-chlorophenyl)prop-2-enamide
CID 5773323
N-[1-(4-chlorophenyl)-1-methylethyl]-N'-5-isoquinolinylurea
CID 10404960
7-[2-[2-(3-Chlorophenyl)ethylamino]ethyl]quinolin-2-Amine
CID 72771081
Acridine, 9-(p-chloroanilino)-
CID 43664
Diarylurea 3
CID 2824466
N-(2-methyl(4-quinolyl)){[3-(trifluoromethyl)phenyl]amino}carboxamide
CID 4129037
[(3-chlorophenyl)amino]-N-(2-methyl(4-quinolyl))carboxamide
CID 4536829
(E)-N-(4-amino-2-propylquinolin-6-yl)-3-(4-chlorophenyl)acrylamide
CID 9799244
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3-quinolin-2-ylphenyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(3-quinolin-2-ylphenyl)urea (CID 135376128) is 1-(4-chlorophenyl)-3-(3-quinolin-2-ylphenyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3-quinolin-2-ylphenyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3-quinolin-2-ylphenyl)urea is O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2ccc3ccccc3n2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3-quinolin-2-ylphenyl)urea?
The InChIKey is CXVDEJXZIKZRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O/c23-17-9-11-18(12-10-17)24-22(27)25-19-6-3-5-16(14-19)21-13-8-15-4-1-2-7-20(15)26-21/h1-14H,(H2,24,25,27).
What are the key properties of 1-(4-chlorophenyl)-3-(3-quinolin-2-ylphenyl)urea?
1-(4-chlorophenyl)-3-(3-quinolin-2-ylphenyl)urea has a molecular weight of 373.84 g/mol, XLogP of 6.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3-quinolin-2-ylphenyl)urea is sourced from PubChem (CID 135376128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).