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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Related Compounds

3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one
CID 865120
6-methoxy-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one
CID 939351
3-amino-6-methoxy-1H-quinolin-2-one
CID 115018057
2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069887
3-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline
CID 113452620
N'-hydroxy-6-methoxy-2-oxo-1H-quinoline-3-carboximidamide
CID 135907593
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]propane-1-sulfonamide
CID 110326068
3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one
CID 139658813
2-(3-chloropropyl)-5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazole
CID 39382548
8-methoxy-2-sulfanylidenechromeno[2,3-d]pyrimidin-4-one
CID 129279520
N,N-diethyl-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174783
2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 43513285

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).