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

C22H16ClN3O — CID 135376400

IUPAC1-(4-chlorophenyl)-3-(3-quinolin-3-ylphenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cnc3ccccc3c2)c1
InChIInChI=1S/C22H16ClN3O/c23-18-8-10-19(11-9-18)25-22(27)26-20-6-3-5-15(13-20)17-12-16-4-1-2-7-21(16)24-14-17/h1-14H,(H2,25,26,27)
InChIKeyHLBLCQBAAZWJQW-UHFFFAOYSA-N
MW373.84 g/mol
LogP6.20
Rot. Bonds3

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

1-(4-chlorophenyl)-3-(3-quinolin-3-ylphenyl)urea (PubChem CID 135376400) has the molecular formula C22H16ClN3O and a molecular weight of 373.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3-quinolin-3-ylphenyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3-quinolin-3-ylphenyl)urea
PubChem CID135376400
Molecular FormulaC22H16ClN3O
Molecular Weight373.84 g/mol
Exact Mass373.10
IUPAC Name1-(4-chlorophenyl)-3-(3-quinolin-3-ylphenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cnc3ccccc3c2)c1
InChIInChI=1S/C22H16ClN3O/c23-18-8-10-19(11-9-18)25-22(27)26-20-6-3-5-15(13-20)17-12-16-4-1-2-7-21(16)24-14-17/h1-14H,(H2,25,26,27)
InChIKeyHLBLCQBAAZWJQW-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3-quinolin-3-ylphenyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(3-quinolin-3-ylphenyl)urea (CID 135376400) is 1-(4-chlorophenyl)-3-(3-quinolin-3-ylphenyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3-quinolin-3-ylphenyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3-quinolin-3-ylphenyl)urea is O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cnc3ccccc3c2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3-quinolin-3-ylphenyl)urea?
The InChIKey is HLBLCQBAAZWJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O/c23-18-8-10-19(11-9-18)25-22(27)26-20-6-3-5-15(13-20)17-12-16-4-1-2-7-21(16)24-14-17/h1-14H,(H2,25,26,27).
What are the key properties of 1-(4-chlorophenyl)-3-(3-quinolin-3-ylphenyl)urea?
1-(4-chlorophenyl)-3-(3-quinolin-3-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-3-ylphenyl)urea is sourced from PubChem (CID 135376400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).