1-phenyl-3-quinazolin-4-ylurea

C15H12N4O — CID 10563562

IUPAC1-phenyl-3-quinazolin-4-ylurea
SMILESO=C(Nc1ccccc1)Nc1ncnc2ccccc12
InChIInChI=1S/C15H12N4O/c20-15(18-11-6-2-1-3-7-11)19-14-12-8-4-5-9-13(12)16-10-17-14/h1-10H,(H2,16,17,18,19,20)
InChIKeyIYKBZJSFOBYNTL-UHFFFAOYSA-N
MW264.29 g/mol
LogP3.27
Rot. Bonds2

About 1-phenyl-3-quinazolin-4-ylurea

1-phenyl-3-quinazolin-4-ylurea (PubChem CID 10563562) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-phenyl-3-quinazolin-4-ylurea.

Molecular Properties

Compound Name1-phenyl-3-quinazolin-4-ylurea
PubChem CID10563562
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name1-phenyl-3-quinazolin-4-ylurea
SMILESO=C(Nc1ccccc1)Nc1ncnc2ccccc12
InChIInChI=1S/C15H12N4O/c20-15(18-11-6-2-1-3-7-11)19-14-12-8-4-5-9-13(12)16-10-17-14/h1-10H,(H2,16,17,18,19,20)
InChIKeyIYKBZJSFOBYNTL-UHFFFAOYSA-N
XLogP3.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-quinazolin-4-ylurea?
The IUPAC name of 1-phenyl-3-quinazolin-4-ylurea (CID 10563562) is 1-phenyl-3-quinazolin-4-ylurea.
What is the SMILES notation for 1-phenyl-3-quinazolin-4-ylurea?
The canonical SMILES for 1-phenyl-3-quinazolin-4-ylurea is O=C(Nc1ccccc1)Nc1ncnc2ccccc12.
What is the InChIKey of 1-phenyl-3-quinazolin-4-ylurea?
The InChIKey is IYKBZJSFOBYNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c20-15(18-11-6-2-1-3-7-11)19-14-12-8-4-5-9-13(12)16-10-17-14/h1-10H,(H2,16,17,18,19,20).
What are the key properties of 1-phenyl-3-quinazolin-4-ylurea?
1-phenyl-3-quinazolin-4-ylurea has a molecular weight of 264.29 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-quinazolin-4-ylurea is sourced from PubChem (CID 10563562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).