1-(3-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea

C19H18N4O3 — CID 162429231

IUPAC1-(3-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea
SMILESCCn1cnc2ccc(NC(=O)Nc3cccc(C(C)=O)c3)cc2c1=O
InChIInChI=1S/C19H18N4O3/c1-3-23-11-20-17-8-7-15(10-16(17)18(23)25)22-19(26)21-14-6-4-5-13(9-14)12(2)24/h4-11H,3H2,1-2H3,(H2,21,22,26)
InChIKeyPAGLLYDMJVTTJD-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.26
Rot. Bonds4

About 1-(3-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea

1-(3-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea (PubChem CID 162429231) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea
PubChem CID162429231
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name1-(3-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea
SMILESCCn1cnc2ccc(NC(=O)Nc3cccc(C(C)=O)c3)cc2c1=O
InChIInChI=1S/C19H18N4O3/c1-3-23-11-20-17-8-7-15(10-16(17)18(23)25)22-19(26)21-14-6-4-5-13(9-14)12(2)24/h4-11H,3H2,1-2H3,(H2,21,22,26)
InChIKeyPAGLLYDMJVTTJD-UHFFFAOYSA-N
XLogP3.26
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea?
The IUPAC name of 1-(3-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea (CID 162429231) is 1-(3-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea is CCn1cnc2ccc(NC(=O)Nc3cccc(C(C)=O)c3)cc2c1=O.
What is the InChIKey of 1-(3-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea?
The InChIKey is PAGLLYDMJVTTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-3-23-11-20-17-8-7-15(10-16(17)18(23)25)22-19(26)21-14-6-4-5-13(9-14)12(2)24/h4-11H,3H2,1-2H3,(H2,21,22,26).
What are the key properties of 1-(3-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea?
1-(3-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea has a molecular weight of 350.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea is sourced from PubChem (CID 162429231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).