1-methyl-1-(4-oxoquinazolin-3-yl)-3-phenylurea

C16H14N4O2 — CID 2805370

IUPAC1-methyl-1-(4-oxoquinazolin-3-yl)-3-phenylurea
SMILESCN(C(=O)Nc1ccccc1)n1cnc2ccccc2c1=O
InChIInChI=1S/C16H14N4O2/c1-19(16(22)18-12-7-3-2-4-8-12)20-11-17-14-10-6-5-9-13(14)15(20)21/h2-11H,1H3,(H,18,22)
InChIKeyQMOZJLZDTCSHDT-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.20
Rot. Bonds2

About 1-methyl-1-(4-oxoquinazolin-3-yl)-3-phenylurea

1-methyl-1-(4-oxoquinazolin-3-yl)-3-phenylurea (PubChem CID 2805370) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-methyl-1-(4-oxoquinazolin-3-yl)-3-phenylurea.

Molecular Properties

Compound Name1-methyl-1-(4-oxoquinazolin-3-yl)-3-phenylurea
PubChem CID2805370
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name1-methyl-1-(4-oxoquinazolin-3-yl)-3-phenylurea
SMILESCN(C(=O)Nc1ccccc1)n1cnc2ccccc2c1=O
InChIInChI=1S/C16H14N4O2/c1-19(16(22)18-12-7-3-2-4-8-12)20-11-17-14-10-6-5-9-13(14)15(20)21/h2-11H,1H3,(H,18,22)
InChIKeyQMOZJLZDTCSHDT-UHFFFAOYSA-N
XLogP2.20
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(4-oxoquinazolin-3-yl)-3-phenylurea?
The IUPAC name of 1-methyl-1-(4-oxoquinazolin-3-yl)-3-phenylurea (CID 2805370) is 1-methyl-1-(4-oxoquinazolin-3-yl)-3-phenylurea.
What is the SMILES notation for 1-methyl-1-(4-oxoquinazolin-3-yl)-3-phenylurea?
The canonical SMILES for 1-methyl-1-(4-oxoquinazolin-3-yl)-3-phenylurea is CN(C(=O)Nc1ccccc1)n1cnc2ccccc2c1=O.
What is the InChIKey of 1-methyl-1-(4-oxoquinazolin-3-yl)-3-phenylurea?
The InChIKey is QMOZJLZDTCSHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-19(16(22)18-12-7-3-2-4-8-12)20-11-17-14-10-6-5-9-13(14)15(20)21/h2-11H,1H3,(H,18,22).
What are the key properties of 1-methyl-1-(4-oxoquinazolin-3-yl)-3-phenylurea?
1-methyl-1-(4-oxoquinazolin-3-yl)-3-phenylurea has a molecular weight of 294.31 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(4-oxoquinazolin-3-yl)-3-phenylurea is sourced from PubChem (CID 2805370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).