(1-propyltetrazol-5-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate

C15H16N6O3 — CID 9405619

IUPAC(1-propyltetrazol-5-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate
SMILESCCCn1nnnc1COC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C15H16N6O3/c1-2-7-21-13(17-18-19-21)9-24-14(22)8-20-10-16-12-6-4-3-5-11(12)15(20)23/h3-6,10H,2,7-9H2,1H3
InChIKeyKGCWPPWMFQGBHP-UHFFFAOYSA-N
MW328.33 g/mol
LogP0.54
Rot. Bonds6

About (1-propyltetrazol-5-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate

(1-propyltetrazol-5-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 9405619) has the molecular formula C15H16N6O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is (1-propyltetrazol-5-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name(1-propyltetrazol-5-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID9405619
Molecular FormulaC15H16N6O3
Molecular Weight328.33 g/mol
Exact Mass328.13
IUPAC Name(1-propyltetrazol-5-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate
SMILESCCCn1nnnc1COC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C15H16N6O3/c1-2-7-21-13(17-18-19-21)9-24-14(22)8-20-10-16-12-6-4-3-5-11(12)15(20)23/h3-6,10H,2,7-9H2,1H3
InChIKeyKGCWPPWMFQGBHP-UHFFFAOYSA-N
XLogP0.54
TPSA104.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate
CID 32611315
(1-propyltetrazol-5-yl)methyl 2-phenoxyacetate
CID 55397419
(1-propyltetrazol-5-yl)methyl 2-(2,6-dimethylphenoxy)acetate
CID 55400541
3-propylquinazolin-4-one
CID 529124
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995265
3-[2-oxo-2-(1-propylindol-3-yl)ethyl]quinazolin-4-one
CID 41316271
ethyl 4-amino-6-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 55441835
(1-butyltetrazol-5-yl)methyl 2-(2,4-dioxoquinazolin-1-yl)acetate
CID 18286847
[2-(2-ethylanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995489
[(2S)-1-anilino-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995099
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate
CID 9405582
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995397

Frequently Asked Questions

What is the IUPAC name of (1-propyltetrazol-5-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of (1-propyltetrazol-5-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate (CID 9405619) is (1-propyltetrazol-5-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for (1-propyltetrazol-5-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for (1-propyltetrazol-5-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate is CCCn1nnnc1COC(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of (1-propyltetrazol-5-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is KGCWPPWMFQGBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3/c1-2-7-21-13(17-18-19-21)9-24-14(22)8-20-10-16-12-6-4-3-5-11(12)15(20)23/h3-6,10H,2,7-9H2,1H3.
What are the key properties of (1-propyltetrazol-5-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate?
(1-propyltetrazol-5-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 328.33 g/mol, XLogP of 0.54, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propyltetrazol-5-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 9405619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).