methyl 2-(4-tert-butyl-2-oxoquinazolin-1-yl)acetate

C15H18N2O3 — CID 22973079

IUPACmethyl 2-(4-tert-butyl-2-oxoquinazolin-1-yl)acetate
SMILESCOC(=O)Cn1c(=O)nc(C(C)(C)C)c2ccccc21
InChIInChI=1S/C15H18N2O3/c1-15(2,3)13-10-7-5-6-8-11(10)17(14(19)16-13)9-12(18)20-4/h5-8H,9H2,1-4H3
InChIKeyQMUDZMCSDWCSIW-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.87
Rot. Bonds2

About methyl 2-(4-tert-butyl-2-oxoquinazolin-1-yl)acetate

methyl 2-(4-tert-butyl-2-oxoquinazolin-1-yl)acetate (PubChem CID 22973079) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 2-(4-tert-butyl-2-oxoquinazolin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-tert-butyl-2-oxoquinazolin-1-yl)acetate
PubChem CID22973079
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namemethyl 2-(4-tert-butyl-2-oxoquinazolin-1-yl)acetate
SMILESCOC(=O)Cn1c(=O)nc(C(C)(C)C)c2ccccc21
InChIInChI=1S/C15H18N2O3/c1-15(2,3)13-10-7-5-6-8-11(10)17(14(19)16-13)9-12(18)20-4/h5-8H,9H2,1-4H3
InChIKeyQMUDZMCSDWCSIW-UHFFFAOYSA-N
XLogP1.87
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-tert-butyl-2-oxoquinazolin-1-yl)acetate?
The IUPAC name of methyl 2-(4-tert-butyl-2-oxoquinazolin-1-yl)acetate (CID 22973079) is methyl 2-(4-tert-butyl-2-oxoquinazolin-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-tert-butyl-2-oxoquinazolin-1-yl)acetate?
The canonical SMILES for methyl 2-(4-tert-butyl-2-oxoquinazolin-1-yl)acetate is COC(=O)Cn1c(=O)nc(C(C)(C)C)c2ccccc21.
What is the InChIKey of methyl 2-(4-tert-butyl-2-oxoquinazolin-1-yl)acetate?
The InChIKey is QMUDZMCSDWCSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-15(2,3)13-10-7-5-6-8-11(10)17(14(19)16-13)9-12(18)20-4/h5-8H,9H2,1-4H3.
What are the key properties of methyl 2-(4-tert-butyl-2-oxoquinazolin-1-yl)acetate?
methyl 2-(4-tert-butyl-2-oxoquinazolin-1-yl)acetate has a molecular weight of 274.32 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-tert-butyl-2-oxoquinazolin-1-yl)acetate is sourced from PubChem (CID 22973079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).