7-fluoro-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one

C14H13FN4O2 — CID 36821460

IUPAC7-fluoro-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
SMILESCCCc1noc(Cn2cnc3cc(F)ccc3c2=O)n1
InChIInChI=1S/C14H13FN4O2/c1-2-3-12-17-13(21-18-12)7-19-8-16-11-6-9(15)4-5-10(11)14(19)20/h4-6,8H,2-3,7H2,1H3
InChIKeyLNGNAKWWKYUPFB-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.92
Rot. Bonds4

About 7-fluoro-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one

7-fluoro-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one (PubChem CID 36821460) has the molecular formula C14H13FN4O2 and a molecular weight of 288.28 g/mol. Its IUPAC name is 7-fluoro-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
PubChem CID36821460
Molecular FormulaC14H13FN4O2
Molecular Weight288.28 g/mol
Exact Mass288.10
IUPAC Name7-fluoro-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
SMILESCCCc1noc(Cn2cnc3cc(F)ccc3c2=O)n1
InChIInChI=1S/C14H13FN4O2/c1-2-3-12-17-13(21-18-12)7-19-8-16-11-6-9(15)4-5-10(11)14(19)20/h4-6,8H,2-3,7H2,1H3
InChIKeyLNGNAKWWKYUPFB-UHFFFAOYSA-N
XLogP1.92
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-fluoro-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one?
The IUPAC name of 7-fluoro-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one (CID 36821460) is 7-fluoro-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 7-fluoro-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one?
The canonical SMILES for 7-fluoro-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one is CCCc1noc(Cn2cnc3cc(F)ccc3c2=O)n1.
What is the InChIKey of 7-fluoro-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one?
The InChIKey is LNGNAKWWKYUPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2/c1-2-3-12-17-13(21-18-12)7-19-8-16-11-6-9(15)4-5-10(11)14(19)20/h4-6,8H,2-3,7H2,1H3.
What are the key properties of 7-fluoro-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one?
7-fluoro-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one has a molecular weight of 288.28 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 36821460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).