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

C18H15ClN2O3 — CID 23794369

IUPACethyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]acetate
SMILESCCOC(=O)Cn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O
InChIInChI=1S/C18H15ClN2O3/c1-2-24-16(22)11-21-17(12-7-9-13(19)10-8-12)20-15-6-4-3-5-14(15)18(21)23/h3-10H,2,11H2,1H3
InChIKeyFEFYTPHFSYCUEO-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.28
Rot. Bonds4

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

ethyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]acetate (PubChem CID 23794369) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is ethyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]acetate
PubChem CID23794369
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Nameethyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]acetate
SMILESCCOC(=O)Cn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O
InChIInChI=1S/C18H15ClN2O3/c1-2-24-16(22)11-21-17(12-7-9-13(19)10-8-12)20-15-6-4-3-5-14(15)18(21)23/h3-10H,2,11H2,1H3
InChIKeyFEFYTPHFSYCUEO-UHFFFAOYSA-N
XLogP3.28
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]acetate
CID 54217062
2-butoxyethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate
CID 14947175
3-(2-bromoethyl)-2-(4-chlorophenyl)quinazolin-4-one
CID 18315900
[4-(3-ethyl-4-oxoquinazolin-2-yl)phenyl] acetate
CID 118509700
ethyl 2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetate
CID 110429856
3-ethyl-2-phenylquinazolin-4-one
CID 12626608
2-methylpropyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)acetate
CID 23827567
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
CID 17001099
benzyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]propanoate
CID 23937732
ethyl 2-[[2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetyl]amino]acetate
CID 14390235
2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 17036011
ethyl 2-[2-(3-methylphenyl)benzimidazol-1-yl]acetate
CID 17000863

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]acetate?
The IUPAC name of ethyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]acetate (CID 23794369) is ethyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]acetate?
The canonical SMILES for ethyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]acetate is CCOC(=O)Cn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O.
What is the InChIKey of ethyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]acetate?
The InChIKey is FEFYTPHFSYCUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-2-24-16(22)11-21-17(12-7-9-13(19)10-8-12)20-15-6-4-3-5-14(15)18(21)23/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]acetate?
ethyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]acetate has a molecular weight of 342.78 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]acetate is sourced from PubChem (CID 23794369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).