1-(3-benzyl-2-oxoquinazolin-4-yl)-3-phenylurea

C22H18N4O2 — CID 18584997

IUPAC1-(3-benzyl-2-oxoquinazolin-4-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1c2ccccc2nc(=O)n1Cc1ccccc1
InChIInChI=1S/C22H18N4O2/c27-21(23-17-11-5-2-6-12-17)25-20-18-13-7-8-14-19(18)24-22(28)26(20)15-16-9-3-1-4-10-16/h1-14H,15H2,(H2,23,25,27)
InChIKeyVIZNQBWKTWPAMF-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.09
Rot. Bonds4

About 1-(3-benzyl-2-oxoquinazolin-4-yl)-3-phenylurea

1-(3-benzyl-2-oxoquinazolin-4-yl)-3-phenylurea (PubChem CID 18584997) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-(3-benzyl-2-oxoquinazolin-4-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(3-benzyl-2-oxoquinazolin-4-yl)-3-phenylurea
PubChem CID18584997
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name1-(3-benzyl-2-oxoquinazolin-4-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1c2ccccc2nc(=O)n1Cc1ccccc1
InChIInChI=1S/C22H18N4O2/c27-21(23-17-11-5-2-6-12-17)25-20-18-13-7-8-14-19(18)24-22(28)26(20)15-16-9-3-1-4-10-16/h1-14H,15H2,(H2,23,25,27)
InChIKeyVIZNQBWKTWPAMF-UHFFFAOYSA-N
XLogP4.09
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-2-oxoquinazolin-4-yl)-3-phenylurea?
The IUPAC name of 1-(3-benzyl-2-oxoquinazolin-4-yl)-3-phenylurea (CID 18584997) is 1-(3-benzyl-2-oxoquinazolin-4-yl)-3-phenylurea.
What is the SMILES notation for 1-(3-benzyl-2-oxoquinazolin-4-yl)-3-phenylurea?
The canonical SMILES for 1-(3-benzyl-2-oxoquinazolin-4-yl)-3-phenylurea is O=C(Nc1ccccc1)Nc1c2ccccc2nc(=O)n1Cc1ccccc1.
What is the InChIKey of 1-(3-benzyl-2-oxoquinazolin-4-yl)-3-phenylurea?
The InChIKey is VIZNQBWKTWPAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c27-21(23-17-11-5-2-6-12-17)25-20-18-13-7-8-14-19(18)24-22(28)26(20)15-16-9-3-1-4-10-16/h1-14H,15H2,(H2,23,25,27).
What are the key properties of 1-(3-benzyl-2-oxoquinazolin-4-yl)-3-phenylurea?
1-(3-benzyl-2-oxoquinazolin-4-yl)-3-phenylurea has a molecular weight of 370.41 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-2-oxoquinazolin-4-yl)-3-phenylurea is sourced from PubChem (CID 18584997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).