2-(4-oxoquinazolin-3-yl)ethyl 2-methylpropanoate

C14H16N2O3 — CID 30338200

IUPAC2-(4-oxoquinazolin-3-yl)ethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCn1cnc2ccccc2c1=O
InChIInChI=1S/C14H16N2O3/c1-10(2)14(18)19-8-7-16-9-15-12-6-4-3-5-11(12)13(16)17/h3-6,9-10H,7-8H2,1-2H3
InChIKeyDXZNCVRUZDRWLR-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.60
Rot. Bonds4

About 2-(4-oxoquinazolin-3-yl)ethyl 2-methylpropanoate

2-(4-oxoquinazolin-3-yl)ethyl 2-methylpropanoate (PubChem CID 30338200) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(4-oxoquinazolin-3-yl)ethyl 2-methylpropanoate.

Molecular Properties

Compound Name2-(4-oxoquinazolin-3-yl)ethyl 2-methylpropanoate
PubChem CID30338200
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-(4-oxoquinazolin-3-yl)ethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCn1cnc2ccccc2c1=O
InChIInChI=1S/C14H16N2O3/c1-10(2)14(18)19-8-7-16-9-15-12-6-4-3-5-11(12)13(16)17/h3-6,9-10H,7-8H2,1-2H3
InChIKeyDXZNCVRUZDRWLR-UHFFFAOYSA-N
XLogP1.60
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinazolin-3-yl)ethyl 2-methylpropanoate?
The IUPAC name of 2-(4-oxoquinazolin-3-yl)ethyl 2-methylpropanoate (CID 30338200) is 2-(4-oxoquinazolin-3-yl)ethyl 2-methylpropanoate.
What is the SMILES notation for 2-(4-oxoquinazolin-3-yl)ethyl 2-methylpropanoate?
The canonical SMILES for 2-(4-oxoquinazolin-3-yl)ethyl 2-methylpropanoate is CC(C)C(=O)OCCn1cnc2ccccc2c1=O.
What is the InChIKey of 2-(4-oxoquinazolin-3-yl)ethyl 2-methylpropanoate?
The InChIKey is DXZNCVRUZDRWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10(2)14(18)19-8-7-16-9-15-12-6-4-3-5-11(12)13(16)17/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 2-(4-oxoquinazolin-3-yl)ethyl 2-methylpropanoate?
2-(4-oxoquinazolin-3-yl)ethyl 2-methylpropanoate has a molecular weight of 260.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoquinazolin-3-yl)ethyl 2-methylpropanoate is sourced from PubChem (CID 30338200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).