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

C15H11ClN4O2 — CID 8005187

IUPAC1-(4-chlorophenyl)-3-(4-oxoquinazolin-3-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nn1cnc2ccccc2c1=O
InChIInChI=1S/C15H11ClN4O2/c16-10-5-7-11(8-6-10)18-15(22)19-20-9-17-13-4-2-1-3-12(13)14(20)21/h1-9H,(H2,18,19,22)
InChIKeyGZWUVIWFQWLKOJ-UHFFFAOYSA-N
MW314.73 g/mol
LogP2.83
Rot. Bonds2

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

1-(4-chlorophenyl)-3-(4-oxoquinazolin-3-yl)urea (PubChem CID 8005187) has the molecular formula C15H11ClN4O2 and a molecular weight of 314.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-oxoquinazolin-3-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-oxoquinazolin-3-yl)urea
PubChem CID8005187
Molecular FormulaC15H11ClN4O2
Molecular Weight314.73 g/mol
Exact Mass314.06
IUPAC Name1-(4-chlorophenyl)-3-(4-oxoquinazolin-3-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nn1cnc2ccccc2c1=O
InChIInChI=1S/C15H11ClN4O2/c16-10-5-7-11(8-6-10)18-15(22)19-20-9-17-13-4-2-1-3-12(13)14(20)21/h1-9H,(H2,18,19,22)
InChIKeyGZWUVIWFQWLKOJ-UHFFFAOYSA-N
XLogP2.83
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 328621
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CID 10742340
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CID 2805371
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CID 376432
CID 376432
CID 2203181
CID 2203181
CID 3242645
CID 3242645
CID 6083389
CID 6083389
CID 10740785
CID 10740785
CID 800354
CID 800354
CID 2805370
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CID 746295
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CID 10622006
CID 10622006

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4-oxoquinazolin-3-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-oxoquinazolin-3-yl)urea (CID 8005187) is 1-(4-chlorophenyl)-3-(4-oxoquinazolin-3-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-oxoquinazolin-3-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-oxoquinazolin-3-yl)urea is O=C(Nc1ccc(Cl)cc1)Nn1cnc2ccccc2c1=O.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-oxoquinazolin-3-yl)urea?
The InChIKey is GZWUVIWFQWLKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O2/c16-10-5-7-11(8-6-10)18-15(22)19-20-9-17-13-4-2-1-3-12(13)14(20)21/h1-9H,(H2,18,19,22).
What are the key properties of 1-(4-chlorophenyl)-3-(4-oxoquinazolin-3-yl)urea?
1-(4-chlorophenyl)-3-(4-oxoquinazolin-3-yl)urea has a molecular weight of 314.73 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-oxoquinazolin-3-yl)urea is sourced from PubChem (CID 8005187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).