1-(4-bromophenyl)-3-(4-oxo-2-phenylquinazolin-3-yl)urea

C21H15BrN4O2 — CID 44513284

IUPAC1-(4-bromophenyl)-3-(4-oxo-2-phenylquinazolin-3-yl)urea
SMILESO=C(Nc1ccc(Br)cc1)Nn1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C21H15BrN4O2/c22-15-10-12-16(13-11-15)23-21(28)25-26-19(14-6-2-1-3-7-14)24-18-9-5-4-8-17(18)20(26)27/h1-13H,(H2,23,25,28)
InChIKeyNODXHNZKMQIFAD-UHFFFAOYSA-N
MW435.28 g/mol
LogP4.60
Rot. Bonds3

About 1-(4-bromophenyl)-3-(4-oxo-2-phenylquinazolin-3-yl)urea

1-(4-bromophenyl)-3-(4-oxo-2-phenylquinazolin-3-yl)urea (PubChem CID 44513284) has the molecular formula C21H15BrN4O2 and a molecular weight of 435.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(4-oxo-2-phenylquinazolin-3-yl)urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(4-oxo-2-phenylquinazolin-3-yl)urea
PubChem CID44513284
Molecular FormulaC21H15BrN4O2
Molecular Weight435.28 g/mol
Exact Mass434.04
IUPAC Name1-(4-bromophenyl)-3-(4-oxo-2-phenylquinazolin-3-yl)urea
SMILESO=C(Nc1ccc(Br)cc1)Nn1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C21H15BrN4O2/c22-15-10-12-16(13-11-15)23-21(28)25-26-19(14-6-2-1-3-7-14)24-18-9-5-4-8-17(18)20(26)27/h1-13H,(H2,23,25,28)
InChIKeyNODXHNZKMQIFAD-UHFFFAOYSA-N
XLogP4.60
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.28
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(4-oxo-2-phenylquinazolin-3-yl)urea?
The IUPAC name of 1-(4-bromophenyl)-3-(4-oxo-2-phenylquinazolin-3-yl)urea (CID 44513284) is 1-(4-bromophenyl)-3-(4-oxo-2-phenylquinazolin-3-yl)urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-(4-oxo-2-phenylquinazolin-3-yl)urea?
The canonical SMILES for 1-(4-bromophenyl)-3-(4-oxo-2-phenylquinazolin-3-yl)urea is O=C(Nc1ccc(Br)cc1)Nn1c(-c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 1-(4-bromophenyl)-3-(4-oxo-2-phenylquinazolin-3-yl)urea?
The InChIKey is NODXHNZKMQIFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN4O2/c22-15-10-12-16(13-11-15)23-21(28)25-26-19(14-6-2-1-3-7-14)24-18-9-5-4-8-17(18)20(26)27/h1-13H,(H2,23,25,28).
What are the key properties of 1-(4-bromophenyl)-3-(4-oxo-2-phenylquinazolin-3-yl)urea?
1-(4-bromophenyl)-3-(4-oxo-2-phenylquinazolin-3-yl)urea has a molecular weight of 435.28 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(4-oxo-2-phenylquinazolin-3-yl)urea is sourced from PubChem (CID 44513284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).