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

C19H22N4O4 — CID 95207084

IUPAC6,7-dimethoxy-3-[[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
SMILESCOc1cc2cc(CN3CCC[C@H]3c3nc(C)no3)c(=O)[nH]c2cc1OC
InChIInChI=1S/C19H22N4O4/c1-11-20-19(27-22-11)15-5-4-6-23(15)10-13-7-12-8-16(25-2)17(26-3)9-14(12)21-18(13)24/h7-9,15H,4-6,10H2,1-3H3,(H,21,24)/t15-/m0/s1
InChIKeyDMWMGEBOBHXIOQ-HNNXBMFYSA-N
MW370.41 g/mol
LogP2.57
Rot. Bonds5

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

6,7-dimethoxy-3-[[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 95207084) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 6,7-dimethoxy-3-[[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6,7-dimethoxy-3-[[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
PubChem CID95207084
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name6,7-dimethoxy-3-[[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
SMILESCOc1cc2cc(CN3CCC[C@H]3c3nc(C)no3)c(=O)[nH]c2cc1OC
InChIInChI=1S/C19H22N4O4/c1-11-20-19(27-22-11)15-5-4-6-23(15)10-13-7-12-8-16(25-2)17(26-3)9-14(12)21-18(13)24/h7-9,15H,4-6,10H2,1-3H3,(H,21,24)/t15-/m0/s1
InChIKeyDMWMGEBOBHXIOQ-HNNXBMFYSA-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-[[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 95230978
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
5-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95110558
5-[[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 51934766
[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 90564112
2-[4-chloro-2-[[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 99928177
3-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 128979096
5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95051321
3-methyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95817558
3-[[(3S,4S)-3,4-bis(hydroxymethyl)pyrrolidin-1-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 56701960
(3S)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-ethylpyrrolidine-3-carboxamide
CID 95212553

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-[[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 6,7-dimethoxy-3-[[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one (CID 95207084) is 6,7-dimethoxy-3-[[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6,7-dimethoxy-3-[[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6,7-dimethoxy-3-[[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one is COc1cc2cc(CN3CCC[C@H]3c3nc(C)no3)c(=O)[nH]c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-3-[[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is DMWMGEBOBHXIOQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-11-20-19(27-22-11)15-5-4-6-23(15)10-13-7-12-8-16(25-2)17(26-3)9-14(12)21-18(13)24/h7-9,15H,4-6,10H2,1-3H3,(H,21,24)/t15-/m0/s1.
What are the key properties of 6,7-dimethoxy-3-[[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one?
6,7-dimethoxy-3-[[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-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-[[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 95207084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).