2-butoxyethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate

C22H24N2O4 — CID 14947175

IUPAC2-butoxyethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate
SMILESCCCCOCCOC(=O)Cn1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C22H24N2O4/c1-2-3-13-27-14-15-28-20(25)16-24-21(17-9-5-4-6-10-17)23-19-12-8-7-11-18(19)22(24)26/h4-12H,2-3,13-16H2,1H3
InChIKeyXJIZMRHJHYJZHC-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.42
Rot. Bonds9

About 2-butoxyethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate

2-butoxyethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate (PubChem CID 14947175) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-butoxyethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate.

Molecular Properties

Compound Name2-butoxyethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate
PubChem CID14947175
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-butoxyethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate
SMILESCCCCOCCOC(=O)Cn1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C22H24N2O4/c1-2-3-13-27-14-15-28-20(25)16-24-21(17-9-5-4-6-10-17)23-19-12-8-7-11-18(19)22(24)26/h4-12H,2-3,13-16H2,1H3
InChIKeyXJIZMRHJHYJZHC-UHFFFAOYSA-N
XLogP3.42
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]acetate
CID 23794369
2-(2-butoxyethoxy)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide
CID 11741395
3-hexyl-2-phenylquinazolin-4-one
CID 7559853
3-ethyl-2-phenylquinazolin-4-one
CID 12626608
2-methylpropyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)acetate
CID 23827567
[4-(3-ethyl-4-oxoquinazolin-2-yl)phenyl] acetate
CID 118509700
butyl 2-indolo[3,2-b]quinoxalin-6-ylacetate
CID 3488206
ethyl 2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetate
CID 110429856
3-[5-(4-ethoxyphenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 2010216
3-(2-hydroxyethyl)-2-phenylquinazolin-4-one
CID 854542
butyl 2-(4-acetyl-5-phenyltriazol-1-yl)acetate
CID 82202839
3-(2-butoxy-2-oxoethyl)-4-oxophthalazine-1-carboxylic acid
CID 16610971

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate?
The IUPAC name of 2-butoxyethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate (CID 14947175) is 2-butoxyethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate.
What is the SMILES notation for 2-butoxyethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate?
The canonical SMILES for 2-butoxyethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate is CCCCOCCOC(=O)Cn1c(-c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 2-butoxyethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate?
The InChIKey is XJIZMRHJHYJZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-2-3-13-27-14-15-28-20(25)16-24-21(17-9-5-4-6-10-17)23-19-12-8-7-11-18(19)22(24)26/h4-12H,2-3,13-16H2,1H3.
What are the key properties of 2-butoxyethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate?
2-butoxyethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate has a molecular weight of 380.44 g/mol, XLogP of 3.42, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate is sourced from PubChem (CID 14947175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).