methyl 4-[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-8-yl]benzoate

C26H24N2O3 — CID 73292340

IUPACmethyl 4-[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-8-yl]benzoate
SMILESCCc1nc2c(-c3ccc(C(=O)OC)cc3)cccc2c(=O)n1CCc1ccccc1
InChIInChI=1S/C26H24N2O3/c1-3-23-27-24-21(19-12-14-20(15-13-19)26(30)31-2)10-7-11-22(24)25(29)28(23)17-16-18-8-5-4-6-9-18/h4-15H,3,16-17H2,1-2H3
InChIKeyFEXRDGZOCZIRRY-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.66
Rot. Bonds6

About methyl 4-[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-8-yl]benzoate

methyl 4-[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-8-yl]benzoate (PubChem CID 73292340) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is methyl 4-[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-8-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-8-yl]benzoate
PubChem CID73292340
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Namemethyl 4-[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-8-yl]benzoate
SMILESCCc1nc2c(-c3ccc(C(=O)OC)cc3)cccc2c(=O)n1CCc1ccccc1
InChIInChI=1S/C26H24N2O3/c1-3-23-27-24-21(19-12-14-20(15-13-19)26(30)31-2)10-7-11-22(24)25(29)28(23)17-16-18-8-5-4-6-9-18/h4-15H,3,16-17H2,1-2H3
InChIKeyFEXRDGZOCZIRRY-UHFFFAOYSA-N
XLogP4.66
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-8-yl]benzoate?
The IUPAC name of methyl 4-[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-8-yl]benzoate (CID 73292340) is methyl 4-[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-8-yl]benzoate.
What is the SMILES notation for methyl 4-[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-8-yl]benzoate?
The canonical SMILES for methyl 4-[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-8-yl]benzoate is CCc1nc2c(-c3ccc(C(=O)OC)cc3)cccc2c(=O)n1CCc1ccccc1.
What is the InChIKey of methyl 4-[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-8-yl]benzoate?
The InChIKey is FEXRDGZOCZIRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-3-23-27-24-21(19-12-14-20(15-13-19)26(30)31-2)10-7-11-22(24)25(29)28(23)17-16-18-8-5-4-6-9-18/h4-15H,3,16-17H2,1-2H3.
What are the key properties of methyl 4-[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-8-yl]benzoate?
methyl 4-[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-8-yl]benzoate has a molecular weight of 412.49 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-8-yl]benzoate is sourced from PubChem (CID 73292340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).