7-fluoro-3-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one

C13H13FN6O — CID 24520792

IUPAC7-fluoro-3-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one
SMILESCCCn1nnnc1Cn1cnc2cc(F)ccc2c1=O
InChIInChI=1S/C13H13FN6O/c1-2-5-20-12(16-17-18-20)7-19-8-15-11-6-9(14)3-4-10(11)13(19)21/h3-4,6,8H,2,5,7H2,1H3
InChIKeyXTQYPJRJGUJYRM-UHFFFAOYSA-N
MW288.29 g/mol
LogP0.98
Rot. Bonds4

About 7-fluoro-3-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one

7-fluoro-3-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one (PubChem CID 24520792) has the molecular formula C13H13FN6O and a molecular weight of 288.29 g/mol. Its IUPAC name is 7-fluoro-3-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one
PubChem CID24520792
Molecular FormulaC13H13FN6O
Molecular Weight288.29 g/mol
Exact Mass288.11
IUPAC Name7-fluoro-3-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one
SMILESCCCn1nnnc1Cn1cnc2cc(F)ccc2c1=O
InChIInChI=1S/C13H13FN6O/c1-2-5-20-12(16-17-18-20)7-19-8-15-11-6-9(14)3-4-10(11)13(19)21/h3-4,6,8H,2,5,7H2,1H3
InChIKeyXTQYPJRJGUJYRM-UHFFFAOYSA-N
XLogP0.98
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one?
The IUPAC name of 7-fluoro-3-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one (CID 24520792) is 7-fluoro-3-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 7-fluoro-3-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one?
The canonical SMILES for 7-fluoro-3-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one is CCCn1nnnc1Cn1cnc2cc(F)ccc2c1=O.
What is the InChIKey of 7-fluoro-3-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one?
The InChIKey is XTQYPJRJGUJYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN6O/c1-2-5-20-12(16-17-18-20)7-19-8-15-11-6-9(14)3-4-10(11)13(19)21/h3-4,6,8H,2,5,7H2,1H3.
What are the key properties of 7-fluoro-3-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one?
7-fluoro-3-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one has a molecular weight of 288.29 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 24520792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).