6-[2-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one

C20H27N3O3 — CID 167855339

IUPAC6-[2-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCN1CC2(C)CN(C(=O)COc3ccc4c(c3)CCC(=O)N4)CC2(C)C1
InChIInChI=1S/C20H27N3O3/c1-19-10-22(3)11-20(19,2)13-23(12-19)18(25)9-26-15-5-6-16-14(8-15)4-7-17(24)21-16/h5-6,8H,4,7,9-13H2,1-3H3,(H,21,24)
InChIKeyBWGCSPBVCPTDDA-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.75
Rot. Bonds3

About 6-[2-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one

6-[2-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 167855339) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 6-[2-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID167855339
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name6-[2-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCN1CC2(C)CN(C(=O)COc3ccc4c(c3)CCC(=O)N4)CC2(C)C1
InChIInChI=1S/C20H27N3O3/c1-19-10-22(3)11-20(19,2)13-23(12-19)18(25)9-26-15-5-6-16-14(8-15)4-7-17(24)21-16/h5-6,8H,4,7,9-13H2,1-3H3,(H,21,24)
InChIKeyBWGCSPBVCPTDDA-UHFFFAOYSA-N
XLogP1.75
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[2-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

7-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 172880259
6-[2-oxo-2-(4-pyrrol-1-ylpiperidin-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 51128978
6-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 38447579
6-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 24650648
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861
6-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 94014711
6-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 55531436
N-ethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 47157896
N-methyl-N-(4-methylcyclohexyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 32919288
(2R)-N,N-dimethyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]pyrrolidine-2-carboxamide
CID 94011876
6-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 43799668
6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 43799666

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one (CID 167855339) is 6-[2-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one is CN1CC2(C)CN(C(=O)COc3ccc4c(c3)CCC(=O)N4)CC2(C)C1.
What is the InChIKey of 6-[2-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BWGCSPBVCPTDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-19-10-22(3)11-20(19,2)13-23(12-19)18(25)9-26-15-5-6-16-14(8-15)4-7-17(24)21-16/h5-6,8H,4,7,9-13H2,1-3H3,(H,21,24).
What are the key properties of 6-[2-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 357.45 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 167855339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).