(1-butyltetrazol-5-yl)methyl 2-(2,4-dioxoquinazolin-1-yl)acetate

C16H18N6O4 — CID 18286847

IUPAC(1-butyltetrazol-5-yl)methyl 2-(2,4-dioxoquinazolin-1-yl)acetate
SMILESCCCCn1nnnc1COC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C16H18N6O4/c1-2-3-8-22-13(18-19-20-22)10-26-14(23)9-21-12-7-5-4-6-11(12)15(24)17-16(21)25/h4-7H,2-3,8-10H2,1H3,(H,17,24,25)
InChIKeyBUJHWHTTYTZSIX-UHFFFAOYSA-N
MW358.36 g/mol
LogP0.22
Rot. Bonds7

About (1-butyltetrazol-5-yl)methyl 2-(2,4-dioxoquinazolin-1-yl)acetate

(1-butyltetrazol-5-yl)methyl 2-(2,4-dioxoquinazolin-1-yl)acetate (PubChem CID 18286847) has the molecular formula C16H18N6O4 and a molecular weight of 358.36 g/mol. Its IUPAC name is (1-butyltetrazol-5-yl)methyl 2-(2,4-dioxoquinazolin-1-yl)acetate.

Molecular Properties

Compound Name(1-butyltetrazol-5-yl)methyl 2-(2,4-dioxoquinazolin-1-yl)acetate
PubChem CID18286847
Molecular FormulaC16H18N6O4
Molecular Weight358.36 g/mol
Exact Mass358.14
IUPAC Name(1-butyltetrazol-5-yl)methyl 2-(2,4-dioxoquinazolin-1-yl)acetate
SMILESCCCCn1nnnc1COC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C16H18N6O4/c1-2-3-8-22-13(18-19-20-22)10-26-14(23)9-21-12-7-5-4-6-11(12)15(24)17-16(21)25/h4-7H,2-3,8-10H2,1H3,(H,17,24,25)
InChIKeyBUJHWHTTYTZSIX-UHFFFAOYSA-N
XLogP0.22
TPSA124.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(2,4-dioxoquinazolin-1-yl)acetamide
CID 155322960
(1-butyltetrazol-5-yl)methyl 2-(2-benzylphenoxy)acetate
CID 55390176
(1-propyltetrazol-5-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate
CID 9405619
ethyl 4-(2,4-dioxoquinazolin-1-yl)butanoate
CID 19087677
(1-butyltetrazol-5-yl)methyl 2-benzylbenzoate
CID 55390145
2-(3-methyl-4-propan-2-ylphenoxy)ethyl 2-(2,4-dioxoquinazolin-1-yl)acetate
CID 16580507
(1-propyltetrazol-5-yl)methyl 2-phenoxyacetate
CID 55397419
(1-butyltetrazol-5-yl)methyl 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 8934160
1-ethylquinazoline-2,4-dione
CID 825310
(1-butyltetrazol-5-yl)methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55562402
(1-butyltetrazol-5-yl)methyl 2-(thiophen-2-ylsulfonylamino)acetate
CID 55624067
(1-butyltetrazol-5-yl)methyl 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 30910565

Frequently Asked Questions

What is the IUPAC name of (1-butyltetrazol-5-yl)methyl 2-(2,4-dioxoquinazolin-1-yl)acetate?
The IUPAC name of (1-butyltetrazol-5-yl)methyl 2-(2,4-dioxoquinazolin-1-yl)acetate (CID 18286847) is (1-butyltetrazol-5-yl)methyl 2-(2,4-dioxoquinazolin-1-yl)acetate.
What is the SMILES notation for (1-butyltetrazol-5-yl)methyl 2-(2,4-dioxoquinazolin-1-yl)acetate?
The canonical SMILES for (1-butyltetrazol-5-yl)methyl 2-(2,4-dioxoquinazolin-1-yl)acetate is CCCCn1nnnc1COC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21.
What is the InChIKey of (1-butyltetrazol-5-yl)methyl 2-(2,4-dioxoquinazolin-1-yl)acetate?
The InChIKey is BUJHWHTTYTZSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O4/c1-2-3-8-22-13(18-19-20-22)10-26-14(23)9-21-12-7-5-4-6-11(12)15(24)17-16(21)25/h4-7H,2-3,8-10H2,1H3,(H,17,24,25).
What are the key properties of (1-butyltetrazol-5-yl)methyl 2-(2,4-dioxoquinazolin-1-yl)acetate?
(1-butyltetrazol-5-yl)methyl 2-(2,4-dioxoquinazolin-1-yl)acetate has a molecular weight of 358.36 g/mol, XLogP of 0.22, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyltetrazol-5-yl)methyl 2-(2,4-dioxoquinazolin-1-yl)acetate is sourced from PubChem (CID 18286847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).