6,7-dimethoxy-3-[[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one

C19H22N4O4 — CID 95230978

IUPAC6,7-dimethoxy-3-[[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
SMILESCOc1cc2cc(CN3CCC[C@@H]3c3nonc3C)c(=O)[nH]c2cc1OC
InChIInChI=1S/C19H22N4O4/c1-11-18(22-27-21-11)15-5-4-6-23(15)10-13-7-12-8-16(25-2)17(26-3)9-14(12)20-19(13)24/h7-9,15H,4-6,10H2,1-3H3,(H,20,24)/t15-/m1/s1
InChIKeyPGWIJYASUWAATC-OAHLLOKOSA-N
MW370.41 g/mol
LogP2.57
Rot. Bonds5

About 6,7-dimethoxy-3-[[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one

6,7-dimethoxy-3-[[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 95230978) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 6,7-dimethoxy-3-[[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6,7-dimethoxy-3-[[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
PubChem CID95230978
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name6,7-dimethoxy-3-[[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
SMILESCOc1cc2cc(CN3CCC[C@@H]3c3nonc3C)c(=O)[nH]c2cc1OC
InChIInChI=1S/C19H22N4O4/c1-11-18(22-27-21-11)15-5-4-6-23(15)10-13-7-12-8-16(25-2)17(26-3)9-14(12)20-19(13)24/h7-9,15H,4-6,10H2,1-3H3,(H,20,24)/t15-/m1/s1
InChIKeyPGWIJYASUWAATC-OAHLLOKOSA-N
XLogP2.57
TPSA93.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6,7-dimethoxy-3-[[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 95207084
3-methyl-4-[1-[(2-methyl-1H-indol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole
CID 71137778
3-[(2S)-1-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole
CID 25304764
3-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole
CID 29022180
3-[[(3S,4S)-3,4-bis(hydroxymethyl)pyrrolidin-1-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 56701960
2-[(2R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135963652
(3S)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-ethylpyrrolidine-3-carboxamide
CID 95212553
5-[1-[(2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 128999927
3-[[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 95780229
7-methoxy-3-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 95216039
azocan-1-yl-[5-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 45182905
7-fluoro-3-[[2-(furan-2-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 56714046

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-[[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 6,7-dimethoxy-3-[[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one (CID 95230978) is 6,7-dimethoxy-3-[[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6,7-dimethoxy-3-[[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6,7-dimethoxy-3-[[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one is COc1cc2cc(CN3CCC[C@@H]3c3nonc3C)c(=O)[nH]c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-3-[[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is PGWIJYASUWAATC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-11-18(22-27-21-11)15-5-4-6-23(15)10-13-7-12-8-16(25-2)17(26-3)9-14(12)20-19(13)24/h7-9,15H,4-6,10H2,1-3H3,(H,20,24)/t15-/m1/s1.
What are the key properties of 6,7-dimethoxy-3-[[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one?
6,7-dimethoxy-3-[[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one has a molecular weight of 370.41 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-[[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 95230978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).