(5-hydroxy-6-methoxy-4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate

C15H18N2O5 — CID 11974824

IUPAC(5-hydroxy-6-methoxy-4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate
SMILESCOc1ccc2ncn(COC(=O)C(C)(C)C)c(=O)c2c1O
InChIInChI=1S/C15H18N2O5/c1-15(2,3)14(20)22-8-17-7-16-9-5-6-10(21-4)12(18)11(9)13(17)19/h5-7,18H,8H2,1-4H3
InChIKeyVAPWBLLYHBBVTD-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.66
Rot. Bonds3

About (5-hydroxy-6-methoxy-4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate

(5-hydroxy-6-methoxy-4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate (PubChem CID 11974824) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is (5-hydroxy-6-methoxy-4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(5-hydroxy-6-methoxy-4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate
PubChem CID11974824
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name(5-hydroxy-6-methoxy-4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate
SMILESCOc1ccc2ncn(COC(=O)C(C)(C)C)c(=O)c2c1O
InChIInChI=1S/C15H18N2O5/c1-15(2,3)14(20)22-8-17-7-16-9-5-6-10(21-4)12(18)11(9)13(17)19/h5-7,18H,8H2,1-4H3
InChIKeyVAPWBLLYHBBVTD-UHFFFAOYSA-N
XLogP1.66
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-6-methoxy-4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate?
The IUPAC name of (5-hydroxy-6-methoxy-4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate (CID 11974824) is (5-hydroxy-6-methoxy-4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate.
What is the SMILES notation for (5-hydroxy-6-methoxy-4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate?
The canonical SMILES for (5-hydroxy-6-methoxy-4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate is COc1ccc2ncn(COC(=O)C(C)(C)C)c(=O)c2c1O.
What is the InChIKey of (5-hydroxy-6-methoxy-4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate?
The InChIKey is VAPWBLLYHBBVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-15(2,3)14(20)22-8-17-7-16-9-5-6-10(21-4)12(18)11(9)13(17)19/h5-7,18H,8H2,1-4H3.
What are the key properties of (5-hydroxy-6-methoxy-4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate?
(5-hydroxy-6-methoxy-4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate has a molecular weight of 306.32 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-6-methoxy-4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 11974824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).