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

C18H16N4O2 — CID 139015050

IUPAC7-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]-3,4-dihydro-1H-quinazolin-2-one
SMILESCc1nnc(Cc2cccc(-c3ccc4c(c3)NC(=O)NC4)c2)o1
InChIInChI=1S/C18H16N4O2/c1-11-21-22-17(24-11)8-12-3-2-4-13(7-12)14-5-6-15-10-19-18(23)20-16(15)9-14/h2-7,9H,8,10H2,1H3,(H2,19,20,23)
InChIKeyLNYUELWMGIOSMH-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.27
Rot. Bonds3

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

7-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]-3,4-dihydro-1H-quinazolin-2-one (PubChem CID 139015050) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 7-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]-3,4-dihydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name7-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]-3,4-dihydro-1H-quinazolin-2-one
PubChem CID139015050
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name7-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]-3,4-dihydro-1H-quinazolin-2-one
SMILESCc1nnc(Cc2cccc(-c3ccc4c(c3)NC(=O)NC4)c2)o1
InChIInChI=1S/C18H16N4O2/c1-11-21-22-17(24-11)8-12-3-2-4-13(7-12)14-5-6-15-10-19-18(23)20-16(15)9-14/h2-7,9H,8,10H2,1H3,(H2,19,20,23)
InChIKeyLNYUELWMGIOSMH-UHFFFAOYSA-N
XLogP3.27
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]-3,4-dihydro-1H-quinazolin-2-one?
The IUPAC name of 7-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]-3,4-dihydro-1H-quinazolin-2-one (CID 139015050) is 7-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]-3,4-dihydro-1H-quinazolin-2-one.
What is the SMILES notation for 7-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]-3,4-dihydro-1H-quinazolin-2-one?
The canonical SMILES for 7-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]-3,4-dihydro-1H-quinazolin-2-one is Cc1nnc(Cc2cccc(-c3ccc4c(c3)NC(=O)NC4)c2)o1.
What is the InChIKey of 7-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]-3,4-dihydro-1H-quinazolin-2-one?
The InChIKey is LNYUELWMGIOSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-11-21-22-17(24-11)8-12-3-2-4-13(7-12)14-5-6-15-10-19-18(23)20-16(15)9-14/h2-7,9H,8,10H2,1H3,(H2,19,20,23).
What are the key properties of 7-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]-3,4-dihydro-1H-quinazolin-2-one?
7-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]-3,4-dihydro-1H-quinazolin-2-one has a molecular weight of 320.35 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]-3,4-dihydro-1H-quinazolin-2-one is sourced from PubChem (CID 139015050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).