6-methoxy-3-(5-propyl-1,3,4-oxadiazol-2-yl)-1H-quinolin-2-one

C15H15N3O3 — CID 139658811

IUPAC6-methoxy-3-(5-propyl-1,3,4-oxadiazol-2-yl)-1H-quinolin-2-one
SMILESCCCc1nnc(-c2cc3cc(OC)ccc3[nH]c2=O)o1
InChIInChI=1S/C15H15N3O3/c1-3-4-13-17-18-15(21-13)11-8-9-7-10(20-2)5-6-12(9)16-14(11)19/h5-8H,3-4H2,1-2H3,(H,16,19)
InChIKeySXNVGMXPBUERQV-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.54
Rot. Bonds4

About 6-methoxy-3-(5-propyl-1,3,4-oxadiazol-2-yl)-1H-quinolin-2-one

6-methoxy-3-(5-propyl-1,3,4-oxadiazol-2-yl)-1H-quinolin-2-one (PubChem CID 139658811) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 6-methoxy-3-(5-propyl-1,3,4-oxadiazol-2-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methoxy-3-(5-propyl-1,3,4-oxadiazol-2-yl)-1H-quinolin-2-one
PubChem CID139658811
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name6-methoxy-3-(5-propyl-1,3,4-oxadiazol-2-yl)-1H-quinolin-2-one
SMILESCCCc1nnc(-c2cc3cc(OC)ccc3[nH]c2=O)o1
InChIInChI=1S/C15H15N3O3/c1-3-4-13-17-18-15(21-13)11-8-9-7-10(20-2)5-6-12(9)16-14(11)19/h5-8H,3-4H2,1-2H3,(H,16,19)
InChIKeySXNVGMXPBUERQV-UHFFFAOYSA-N
XLogP2.54
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(5-propyl-1,3,4-oxadiazol-2-yl)-1H-quinolin-2-one?
The IUPAC name of 6-methoxy-3-(5-propyl-1,3,4-oxadiazol-2-yl)-1H-quinolin-2-one (CID 139658811) is 6-methoxy-3-(5-propyl-1,3,4-oxadiazol-2-yl)-1H-quinolin-2-one.
What is the SMILES notation for 6-methoxy-3-(5-propyl-1,3,4-oxadiazol-2-yl)-1H-quinolin-2-one?
The canonical SMILES for 6-methoxy-3-(5-propyl-1,3,4-oxadiazol-2-yl)-1H-quinolin-2-one is CCCc1nnc(-c2cc3cc(OC)ccc3[nH]c2=O)o1.
What is the InChIKey of 6-methoxy-3-(5-propyl-1,3,4-oxadiazol-2-yl)-1H-quinolin-2-one?
The InChIKey is SXNVGMXPBUERQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-3-4-13-17-18-15(21-13)11-8-9-7-10(20-2)5-6-12(9)16-14(11)19/h5-8H,3-4H2,1-2H3,(H,16,19).
What are the key properties of 6-methoxy-3-(5-propyl-1,3,4-oxadiazol-2-yl)-1H-quinolin-2-one?
6-methoxy-3-(5-propyl-1,3,4-oxadiazol-2-yl)-1H-quinolin-2-one has a molecular weight of 285.30 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(5-propyl-1,3,4-oxadiazol-2-yl)-1H-quinolin-2-one is sourced from PubChem (CID 139658811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).