6-methoxy-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one

C18H18N4O4 — CID 118792643

IUPAC6-methoxy-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one
SMILESCOc1ccc2[nH]cc(C(=O)N3CCC(c4nc(C)no4)C3)c(=O)c2c1
InChIInChI=1S/C18H18N4O4/c1-10-20-17(26-21-10)11-5-6-22(9-11)18(24)14-8-19-15-4-3-12(25-2)7-13(15)16(14)23/h3-4,7-8,11H,5-6,9H2,1-2H3,(H,19,23)
InChIKeyJBHNDDOVPSFVNL-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.86
Rot. Bonds3

About 6-methoxy-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one

6-methoxy-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one (PubChem CID 118792643) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 6-methoxy-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-methoxy-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one
PubChem CID118792643
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name6-methoxy-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one
SMILESCOc1ccc2[nH]cc(C(=O)N3CCC(c4nc(C)no4)C3)c(=O)c2c1
InChIInChI=1S/C18H18N4O4/c1-10-20-17(26-21-10)11-5-6-22(9-11)18(24)14-8-19-15-4-3-12(25-2)7-13(15)16(14)23/h3-4,7-8,11H,5-6,9H2,1-2H3,(H,19,23)
InChIKeyJBHNDDOVPSFVNL-UHFFFAOYSA-N
XLogP1.86
TPSA101.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 136530275
(2-fluoro-4-methoxyphenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129346800
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone
CID 127246684
[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone
CID 125012958
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 125165768
(3-methoxy-4-methylphenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129346818
(3-methoxy-4-methylphenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129346819
6-methoxy-3-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-1H-quinolin-4-one
CID 135107741
[2-(methoxymethyl)phenyl]-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129346773
[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone
CID 124988973
(2-chloro-4,5-dimethylphenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129491670
(5-methoxy-1H-indol-3-yl)-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 110243504

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one?
The IUPAC name of 6-methoxy-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one (CID 118792643) is 6-methoxy-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-methoxy-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one?
The canonical SMILES for 6-methoxy-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one is COc1ccc2[nH]cc(C(=O)N3CCC(c4nc(C)no4)C3)c(=O)c2c1.
What is the InChIKey of 6-methoxy-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one?
The InChIKey is JBHNDDOVPSFVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-10-20-17(26-21-10)11-5-6-22(9-11)18(24)14-8-19-15-4-3-12(25-2)7-13(15)16(14)23/h3-4,7-8,11H,5-6,9H2,1-2H3,(H,19,23).
What are the key properties of 6-methoxy-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one?
6-methoxy-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one has a molecular weight of 354.37 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one is sourced from PubChem (CID 118792643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).