(4-propanoylphenyl) 2-(8-methyl-4-oxoquinazolin-3-yl)acetate

C20H18N2O4 — CID 24529030

IUPAC(4-propanoylphenyl) 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
SMILESCCC(=O)c1ccc(OC(=O)Cn2cnc3c(C)cccc3c2=O)cc1
InChIInChI=1S/C20H18N2O4/c1-3-17(23)14-7-9-15(10-8-14)26-18(24)11-22-12-21-19-13(2)5-4-6-16(19)20(22)25/h4-10,12H,3,11H2,1-2H3
InChIKeySOZSYJPXIVWURK-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.90
Rot. Bonds5

About (4-propanoylphenyl) 2-(8-methyl-4-oxoquinazolin-3-yl)acetate

(4-propanoylphenyl) 2-(8-methyl-4-oxoquinazolin-3-yl)acetate (PubChem CID 24529030) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is (4-propanoylphenyl) 2-(8-methyl-4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name(4-propanoylphenyl) 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
PubChem CID24529030
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name(4-propanoylphenyl) 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
SMILESCCC(=O)c1ccc(OC(=O)Cn2cnc3c(C)cccc3c2=O)cc1
InChIInChI=1S/C20H18N2O4/c1-3-17(23)14-7-9-15(10-8-14)26-18(24)11-22-12-21-19-13(2)5-4-6-16(19)20(22)25/h4-10,12H,3,11H2,1-2H3
InChIKeySOZSYJPXIVWURK-UHFFFAOYSA-N
XLogP2.90
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylphenoxy)ethyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 46649032
benzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938253
4-methoxy-N-[2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]benzamide
CID 55878694
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27823117
(6-methoxynaphthalen-2-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 55554777
N-ethyl-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)acetamide
CID 46550497
(3,4-dimethylphenyl) 2-(4-oxoquinazolin-3-yl)acetate
CID 9097161
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide
CID 41103569
[2-(2,5-diethoxyanilino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 42085540
N,N-diethyl-4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 24529289
N-(5-methyl-1,2-oxazol-3-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27161523
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide
CID 55897690

Frequently Asked Questions

What is the IUPAC name of (4-propanoylphenyl) 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
The IUPAC name of (4-propanoylphenyl) 2-(8-methyl-4-oxoquinazolin-3-yl)acetate (CID 24529030) is (4-propanoylphenyl) 2-(8-methyl-4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for (4-propanoylphenyl) 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for (4-propanoylphenyl) 2-(8-methyl-4-oxoquinazolin-3-yl)acetate is CCC(=O)c1ccc(OC(=O)Cn2cnc3c(C)cccc3c2=O)cc1.
What is the InChIKey of (4-propanoylphenyl) 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
The InChIKey is SOZSYJPXIVWURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-3-17(23)14-7-9-15(10-8-14)26-18(24)11-22-12-21-19-13(2)5-4-6-16(19)20(22)25/h4-10,12H,3,11H2,1-2H3.
What are the key properties of (4-propanoylphenyl) 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
(4-propanoylphenyl) 2-(8-methyl-4-oxoquinazolin-3-yl)acetate has a molecular weight of 350.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propanoylphenyl) 2-(8-methyl-4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 24529030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).