1,3-diphenyl-1-quinazolin-4-ylurea

C21H16N4O — CID 122214993

IUPAC1,3-diphenyl-1-quinazolin-4-ylurea
SMILESO=C(Nc1ccccc1)N(c1ccccc1)c1ncnc2ccccc12
InChIInChI=1S/C21H16N4O/c26-21(24-16-9-3-1-4-10-16)25(17-11-5-2-6-12-17)20-18-13-7-8-14-19(18)22-15-23-20/h1-15H,(H,24,26)
InChIKeyKJQCAOOTVLJBJR-UHFFFAOYSA-N
MW340.39 g/mol
LogP5.00
Rot. Bonds3

About 1,3-diphenyl-1-quinazolin-4-ylurea

1,3-diphenyl-1-quinazolin-4-ylurea (PubChem CID 122214993) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 1,3-diphenyl-1-quinazolin-4-ylurea.

Molecular Properties

Compound Name1,3-diphenyl-1-quinazolin-4-ylurea
PubChem CID122214993
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name1,3-diphenyl-1-quinazolin-4-ylurea
SMILESO=C(Nc1ccccc1)N(c1ccccc1)c1ncnc2ccccc12
InChIInChI=1S/C21H16N4O/c26-21(24-16-9-3-1-4-10-16)25(17-11-5-2-6-12-17)20-18-13-7-8-14-19(18)22-15-23-20/h1-15H,(H,24,26)
InChIKeyKJQCAOOTVLJBJR-UHFFFAOYSA-N
XLogP5.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-[2-(dimethylamino)ethyl-quinazolin-4-ylamino]ethyl]phenyl]-3-phenylurea
CID 59268693
1-phenyl-3-pyridin-4-yl-1-pyrimidin-5-ylurea
CID 68639358
N-(4-acetamidophenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437368
1-(5-ethenylpyrimidin-2-yl)-1,3-diphenylurea
CID 59306221
1,3-di(propan-2-yl)-1-quinazolin-4-ylurea
CID 122214994
1,1-diphenyl-3-(phenylcarbamoyl)urea
CID 71359478
N-(4-tert-butylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437388
N-(4-ethylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437352
3-[propan-2-yl(quinazolin-4-yl)amino]propanoic acid
CID 60895280
N,N',N'-triphenyloxamide
CID 54357836
N-(3-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437347
N-(3-acetylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437365

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-1-quinazolin-4-ylurea?
The IUPAC name of 1,3-diphenyl-1-quinazolin-4-ylurea (CID 122214993) is 1,3-diphenyl-1-quinazolin-4-ylurea.
What is the SMILES notation for 1,3-diphenyl-1-quinazolin-4-ylurea?
The canonical SMILES for 1,3-diphenyl-1-quinazolin-4-ylurea is O=C(Nc1ccccc1)N(c1ccccc1)c1ncnc2ccccc12.
What is the InChIKey of 1,3-diphenyl-1-quinazolin-4-ylurea?
The InChIKey is KJQCAOOTVLJBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c26-21(24-16-9-3-1-4-10-16)25(17-11-5-2-6-12-17)20-18-13-7-8-14-19(18)22-15-23-20/h1-15H,(H,24,26).
What are the key properties of 1,3-diphenyl-1-quinazolin-4-ylurea?
1,3-diphenyl-1-quinazolin-4-ylurea has a molecular weight of 340.39 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-1-quinazolin-4-ylurea is sourced from PubChem (CID 122214993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).