[4-(3-ethyl-4-oxoquinazolin-2-yl)phenyl] acetate

C18H16N2O3 — CID 118509700

IUPAC[4-(3-ethyl-4-oxoquinazolin-2-yl)phenyl] acetate
SMILESCCn1c(-c2ccc(OC(C)=O)cc2)nc2ccccc2c1=O
InChIInChI=1S/C18H16N2O3/c1-3-20-17(13-8-10-14(11-9-13)23-12(2)21)19-16-7-5-4-6-15(16)18(20)22/h4-11H,3H2,1-2H3
InChIKeyJGUZJJMCPNZXPI-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.01
Rot. Bonds3

About [4-(3-ethyl-4-oxoquinazolin-2-yl)phenyl] acetate

[4-(3-ethyl-4-oxoquinazolin-2-yl)phenyl] acetate (PubChem CID 118509700) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is [4-(3-ethyl-4-oxoquinazolin-2-yl)phenyl] acetate.

Molecular Properties

Compound Name[4-(3-ethyl-4-oxoquinazolin-2-yl)phenyl] acetate
PubChem CID118509700
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name[4-(3-ethyl-4-oxoquinazolin-2-yl)phenyl] acetate
SMILESCCn1c(-c2ccc(OC(C)=O)cc2)nc2ccccc2c1=O
InChIInChI=1S/C18H16N2O3/c1-3-20-17(13-8-10-14(11-9-13)23-12(2)21)19-16-7-5-4-6-15(16)18(20)22/h4-11H,3H2,1-2H3
InChIKeyJGUZJJMCPNZXPI-UHFFFAOYSA-N
XLogP3.01
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-2-phenylquinazolin-4-one
CID 12626608
ethyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]acetate
CID 23794369
[4-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenyl] acetate
CID 126405316
[4-[4-oxo-3-[6-[4-oxo-2-(4-sulfooxyphenyl)quinazolin-3-yl]hexyl]quinazolin-2-yl]phenyl] hydrogen sulfate
CID 171345321
2-butoxyethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate
CID 14947175
3-[5-(4-ethoxyphenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 2010216
3-hexyl-2-phenylquinazolin-4-one
CID 7559853
3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one
CID 17035993
2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 17036011
2-(4-methylphenyl)-3-[(2-methylphenyl)methyl]quinazolin-4-one
CID 23963016
3-(2-hydroxyethyl)-2-phenylquinazolin-4-one
CID 854542
3-[6-(3,4-dimethylphenoxy)hexyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 2024284

Frequently Asked Questions

What is the IUPAC name of [4-(3-ethyl-4-oxoquinazolin-2-yl)phenyl] acetate?
The IUPAC name of [4-(3-ethyl-4-oxoquinazolin-2-yl)phenyl] acetate (CID 118509700) is [4-(3-ethyl-4-oxoquinazolin-2-yl)phenyl] acetate.
What is the SMILES notation for [4-(3-ethyl-4-oxoquinazolin-2-yl)phenyl] acetate?
The canonical SMILES for [4-(3-ethyl-4-oxoquinazolin-2-yl)phenyl] acetate is CCn1c(-c2ccc(OC(C)=O)cc2)nc2ccccc2c1=O.
What is the InChIKey of [4-(3-ethyl-4-oxoquinazolin-2-yl)phenyl] acetate?
The InChIKey is JGUZJJMCPNZXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-3-20-17(13-8-10-14(11-9-13)23-12(2)21)19-16-7-5-4-6-15(16)18(20)22/h4-11H,3H2,1-2H3.
What are the key properties of [4-(3-ethyl-4-oxoquinazolin-2-yl)phenyl] acetate?
[4-(3-ethyl-4-oxoquinazolin-2-yl)phenyl] acetate has a molecular weight of 308.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethyl-4-oxoquinazolin-2-yl)phenyl] acetate is sourced from PubChem (CID 118509700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).