6-phenoxy-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-one

C21H19N3O3 — CID 100712200

IUPAC6-phenoxy-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-one
SMILESCC(C)c1nc(Cn2ccc(=O)c3cc(Oc4ccccc4)ccc32)no1
InChIInChI=1S/C21H19N3O3/c1-14(2)21-22-20(23-27-21)13-24-11-10-19(25)17-12-16(8-9-18(17)24)26-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3
InChIKeyPHJRWZKNDJVBJD-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.35
Rot. Bonds5

About 6-phenoxy-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-one

6-phenoxy-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-one (PubChem CID 100712200) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 6-phenoxy-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-one.

Molecular Properties

Compound Name6-phenoxy-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-one
PubChem CID100712200
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name6-phenoxy-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-one
SMILESCC(C)c1nc(Cn2ccc(=O)c3cc(Oc4ccccc4)ccc32)no1
InChIInChI=1S/C21H19N3O3/c1-14(2)21-22-20(23-27-21)13-24-11-10-19(25)17-12-16(8-9-18(17)24)26-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3
InChIKeyPHJRWZKNDJVBJD-UHFFFAOYSA-N
XLogP4.35
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-phenoxy-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-one?
The IUPAC name of 6-phenoxy-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-one (CID 100712200) is 6-phenoxy-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-one.
What is the SMILES notation for 6-phenoxy-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-one?
The canonical SMILES for 6-phenoxy-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-one is CC(C)c1nc(Cn2ccc(=O)c3cc(Oc4ccccc4)ccc32)no1.
What is the InChIKey of 6-phenoxy-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-one?
The InChIKey is PHJRWZKNDJVBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-14(2)21-22-20(23-27-21)13-24-11-10-19(25)17-12-16(8-9-18(17)24)26-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3.
What are the key properties of 6-phenoxy-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-one?
6-phenoxy-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-one has a molecular weight of 361.40 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenoxy-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-one is sourced from PubChem (CID 100712200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).