3-(4-chlorophenyl)-1-methyl-1-(4-oxoquinazolin-3-yl)urea

C16H13ClN4O2 — CID 2805371

IUPAC3-(4-chlorophenyl)-1-methyl-1-(4-oxoquinazolin-3-yl)urea
SMILESCN(C(=O)Nc1ccc(Cl)cc1)n1cnc2ccccc2c1=O
InChIInChI=1S/C16H13ClN4O2/c1-20(16(23)19-12-8-6-11(17)7-9-12)21-10-18-14-5-3-2-4-13(14)15(21)22/h2-10H,1H3,(H,19,23)
InChIKeyXEKZKLKRHMPCPM-UHFFFAOYSA-N
MW328.76 g/mol
LogP2.85
Rot. Bonds2

About 3-(4-chlorophenyl)-1-methyl-1-(4-oxoquinazolin-3-yl)urea

3-(4-chlorophenyl)-1-methyl-1-(4-oxoquinazolin-3-yl)urea (PubChem CID 2805371) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-methyl-1-(4-oxoquinazolin-3-yl)urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-methyl-1-(4-oxoquinazolin-3-yl)urea
PubChem CID2805371
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC Name3-(4-chlorophenyl)-1-methyl-1-(4-oxoquinazolin-3-yl)urea
SMILESCN(C(=O)Nc1ccc(Cl)cc1)n1cnc2ccccc2c1=O
InChIInChI=1S/C16H13ClN4O2/c1-20(16(23)19-12-8-6-11(17)7-9-12)21-10-18-14-5-3-2-4-13(14)15(21)22/h2-10H,1H3,(H,19,23)
InChIKeyXEKZKLKRHMPCPM-UHFFFAOYSA-N
XLogP2.85
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-methyl-1-(4-oxoquinazolin-3-yl)urea?
The IUPAC name of 3-(4-chlorophenyl)-1-methyl-1-(4-oxoquinazolin-3-yl)urea (CID 2805371) is 3-(4-chlorophenyl)-1-methyl-1-(4-oxoquinazolin-3-yl)urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-methyl-1-(4-oxoquinazolin-3-yl)urea?
The canonical SMILES for 3-(4-chlorophenyl)-1-methyl-1-(4-oxoquinazolin-3-yl)urea is CN(C(=O)Nc1ccc(Cl)cc1)n1cnc2ccccc2c1=O.
What is the InChIKey of 3-(4-chlorophenyl)-1-methyl-1-(4-oxoquinazolin-3-yl)urea?
The InChIKey is XEKZKLKRHMPCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c1-20(16(23)19-12-8-6-11(17)7-9-12)21-10-18-14-5-3-2-4-13(14)15(21)22/h2-10H,1H3,(H,19,23).
What are the key properties of 3-(4-chlorophenyl)-1-methyl-1-(4-oxoquinazolin-3-yl)urea?
3-(4-chlorophenyl)-1-methyl-1-(4-oxoquinazolin-3-yl)urea has a molecular weight of 328.76 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-methyl-1-(4-oxoquinazolin-3-yl)urea is sourced from PubChem (CID 2805371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).