1-(4-chlorophenyl)-3-[(3-chloroquinoxalin-2-yl)amino]urea

C15H11Cl2N5O — CID 1471795

IUPAC1-(4-chlorophenyl)-3-[(3-chloroquinoxalin-2-yl)amino]urea
SMILESO=C(NNc1nc2ccccc2nc1Cl)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl2N5O/c16-9-5-7-10(8-6-9)18-15(23)22-21-14-13(17)19-11-3-1-2-4-12(11)20-14/h1-8H,(H,20,21)(H2,18,22,23)
InChIKeyXNQREAWWYYRZHS-UHFFFAOYSA-N
MW348.19 g/mol
LogP4.09
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[(3-chloroquinoxalin-2-yl)amino]urea

1-(4-chlorophenyl)-3-[(3-chloroquinoxalin-2-yl)amino]urea (PubChem CID 1471795) has the molecular formula C15H11Cl2N5O and a molecular weight of 348.19 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(3-chloroquinoxalin-2-yl)amino]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(3-chloroquinoxalin-2-yl)amino]urea
PubChem CID1471795
Molecular FormulaC15H11Cl2N5O
Molecular Weight348.19 g/mol
Exact Mass347.03
IUPAC Name1-(4-chlorophenyl)-3-[(3-chloroquinoxalin-2-yl)amino]urea
SMILESO=C(NNc1nc2ccccc2nc1Cl)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl2N5O/c16-9-5-7-10(8-6-9)18-15(23)22-21-14-13(17)19-11-3-1-2-4-12(11)20-14/h1-8H,(H,20,21)(H2,18,22,23)
InChIKeyXNQREAWWYYRZHS-UHFFFAOYSA-N
XLogP4.09
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(3-chloroquinoxalin-2-yl)amino]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(3-chloroquinoxalin-2-yl)amino]urea (CID 1471795) is 1-(4-chlorophenyl)-3-[(3-chloroquinoxalin-2-yl)amino]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(3-chloroquinoxalin-2-yl)amino]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(3-chloroquinoxalin-2-yl)amino]urea is O=C(NNc1nc2ccccc2nc1Cl)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(3-chloroquinoxalin-2-yl)amino]urea?
The InChIKey is XNQREAWWYYRZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N5O/c16-9-5-7-10(8-6-9)18-15(23)22-21-14-13(17)19-11-3-1-2-4-12(11)20-14/h1-8H,(H,20,21)(H2,18,22,23).
What are the key properties of 1-(4-chlorophenyl)-3-[(3-chloroquinoxalin-2-yl)amino]urea?
1-(4-chlorophenyl)-3-[(3-chloroquinoxalin-2-yl)amino]urea has a molecular weight of 348.19 g/mol, XLogP of 4.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(3-chloroquinoxalin-2-yl)amino]urea is sourced from PubChem (CID 1471795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).