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

C12H9FN4O2 — CID 18147578

IUPAC7-fluoro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
SMILESCc1noc(Cn2cnc3cc(F)ccc3c2=O)n1
InChIInChI=1S/C12H9FN4O2/c1-7-15-11(19-16-7)5-17-6-14-10-4-8(13)2-3-9(10)12(17)18/h2-4,6H,5H2,1H3
InChIKeyPDXHCUVPCPNKDR-UHFFFAOYSA-N
MW260.23 g/mol
LogP1.28
Rot. Bonds2

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

7-fluoro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one (PubChem CID 18147578) has the molecular formula C12H9FN4O2 and a molecular weight of 260.23 g/mol. Its IUPAC name is 7-fluoro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
PubChem CID18147578
Molecular FormulaC12H9FN4O2
Molecular Weight260.23 g/mol
Exact Mass260.07
IUPAC Name7-fluoro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
SMILESCc1noc(Cn2cnc3cc(F)ccc3c2=O)n1
InChIInChI=1S/C12H9FN4O2/c1-7-15-11(19-16-7)5-17-6-14-10-4-8(13)2-3-9(10)12(17)18/h2-4,6H,5H2,1H3
InChIKeyPDXHCUVPCPNKDR-UHFFFAOYSA-N
XLogP1.28
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-({Methyl[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino}methyl)-3,4-dihydroquinazolin-4-one
CID 135570331
3-Butyl-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one
CID 8277332
2-(3-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)-N-(2-(trifluoromethyl)phenyl)acetamide
CID 16022719
N-(2,4-Difluorophenyl)-2-{3-[(3-methyl-1,2,4-oxadiazol-5-YL)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-YL}acetamide
CID 16022727
7-Fluoro-3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one
CID 17509149
3-[[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one
CID 17511505
3-Propan-2-yl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 24241290
(2-Fluorophenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 24674534
2-({[3-(2-Fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3-methyl-3,4-dihydroquinazolin-4-one
CID 27544013
3-isopropyl-1-((3-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)methyl)quinazoline-2,4(1H,3H)-dione
CID 30849998
3-[(S)-1-methylpropyl]-1-({3-[m-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2,4(1H,3H)-quinazolinedione
CID 30850025
3-(2-Methylpropyl)-1-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 30850042

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one?
The IUPAC name of 7-fluoro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one (CID 18147578) is 7-fluoro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 7-fluoro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one?
The canonical SMILES for 7-fluoro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one is Cc1noc(Cn2cnc3cc(F)ccc3c2=O)n1.
What is the InChIKey of 7-fluoro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one?
The InChIKey is PDXHCUVPCPNKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O2/c1-7-15-11(19-16-7)5-17-6-14-10-4-8(13)2-3-9(10)12(17)18/h2-4,6H,5H2,1H3.
What are the key properties of 7-fluoro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one?
7-fluoro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one has a molecular weight of 260.23 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 18147578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).