1-(2-oxo-3-propan-2-ylquinazolin-4-yl)-3-phenylurea

C18H18N4O2 — CID 18584919

IUPAC1-(2-oxo-3-propan-2-ylquinazolin-4-yl)-3-phenylurea
SMILESCC(C)n1c(NC(=O)Nc2ccccc2)c2ccccc2nc1=O
InChIInChI=1S/C18H18N4O2/c1-12(2)22-16(14-10-6-7-11-15(14)20-18(22)24)21-17(23)19-13-8-4-3-5-9-13/h3-12H,1-2H3,(H2,19,21,23)
InChIKeyPBCGOHRAXGGLPK-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.62
Rot. Bonds3

About 1-(2-oxo-3-propan-2-ylquinazolin-4-yl)-3-phenylurea

1-(2-oxo-3-propan-2-ylquinazolin-4-yl)-3-phenylurea (PubChem CID 18584919) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-(2-oxo-3-propan-2-ylquinazolin-4-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-oxo-3-propan-2-ylquinazolin-4-yl)-3-phenylurea
PubChem CID18584919
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-(2-oxo-3-propan-2-ylquinazolin-4-yl)-3-phenylurea
SMILESCC(C)n1c(NC(=O)Nc2ccccc2)c2ccccc2nc1=O
InChIInChI=1S/C18H18N4O2/c1-12(2)22-16(14-10-6-7-11-15(14)20-18(22)24)21-17(23)19-13-8-4-3-5-9-13/h3-12H,1-2H3,(H2,19,21,23)
InChIKeyPBCGOHRAXGGLPK-UHFFFAOYSA-N
XLogP3.62
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-3-propan-2-ylquinazolin-4-yl)-3-phenylurea?
The IUPAC name of 1-(2-oxo-3-propan-2-ylquinazolin-4-yl)-3-phenylurea (CID 18584919) is 1-(2-oxo-3-propan-2-ylquinazolin-4-yl)-3-phenylurea.
What is the SMILES notation for 1-(2-oxo-3-propan-2-ylquinazolin-4-yl)-3-phenylurea?
The canonical SMILES for 1-(2-oxo-3-propan-2-ylquinazolin-4-yl)-3-phenylurea is CC(C)n1c(NC(=O)Nc2ccccc2)c2ccccc2nc1=O.
What is the InChIKey of 1-(2-oxo-3-propan-2-ylquinazolin-4-yl)-3-phenylurea?
The InChIKey is PBCGOHRAXGGLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12(2)22-16(14-10-6-7-11-15(14)20-18(22)24)21-17(23)19-13-8-4-3-5-9-13/h3-12H,1-2H3,(H2,19,21,23).
What are the key properties of 1-(2-oxo-3-propan-2-ylquinazolin-4-yl)-3-phenylurea?
1-(2-oxo-3-propan-2-ylquinazolin-4-yl)-3-phenylurea has a molecular weight of 322.37 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-3-propan-2-ylquinazolin-4-yl)-3-phenylurea is sourced from PubChem (CID 18584919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).