2-[(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)methoxy]ethyl acetate

C13H18N2O5 — CID 10401498

IUPAC2-[(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)methoxy]ethyl acetate
SMILESCC(=O)OCCOCn1c2c(c(=O)[nH]c1=O)CCCC2
InChIInChI=1S/C13H18N2O5/c1-9(16)20-7-6-19-8-15-11-5-3-2-4-10(11)12(17)14-13(15)18/h2-8H2,1H3,(H,14,17,18)
InChIKeyFKBONFWWJJNUJD-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.05
Rot. Bonds5

About 2-[(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)methoxy]ethyl acetate

2-[(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)methoxy]ethyl acetate (PubChem CID 10401498) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)methoxy]ethyl acetate.

Molecular Properties

Compound Name2-[(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)methoxy]ethyl acetate
PubChem CID10401498
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-[(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)methoxy]ethyl acetate
SMILESCC(=O)OCCOCn1c2c(c(=O)[nH]c1=O)CCCC2
InChIInChI=1S/C13H18N2O5/c1-9(16)20-7-6-19-8-15-11-5-3-2-4-10(11)12(17)14-13(15)18/h2-8H2,1H3,(H,14,17,18)
InChIKeyFKBONFWWJJNUJD-UHFFFAOYSA-N
XLogP-0.05
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)methoxy]ethyl acetate?
The IUPAC name of 2-[(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)methoxy]ethyl acetate (CID 10401498) is 2-[(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)methoxy]ethyl acetate.
What is the SMILES notation for 2-[(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)methoxy]ethyl acetate?
The canonical SMILES for 2-[(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)methoxy]ethyl acetate is CC(=O)OCCOCn1c2c(c(=O)[nH]c1=O)CCCC2.
What is the InChIKey of 2-[(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)methoxy]ethyl acetate?
The InChIKey is FKBONFWWJJNUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-9(16)20-7-6-19-8-15-11-5-3-2-4-10(11)12(17)14-13(15)18/h2-8H2,1H3,(H,14,17,18).
What are the key properties of 2-[(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)methoxy]ethyl acetate?
2-[(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)methoxy]ethyl acetate has a molecular weight of 282.30 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)methoxy]ethyl acetate is sourced from PubChem (CID 10401498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).