1-(quinoline-6-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one

C16H15N3O2 — CID 131644255

IUPAC1-(quinoline-6-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
SMILESO=C1CC2C(CCN2C(=O)c2ccc3ncccc3c2)N1
InChIInChI=1S/C16H15N3O2/c20-15-9-14-13(18-15)5-7-19(14)16(21)11-3-4-12-10(8-11)2-1-6-17-12/h1-4,6,8,13-14H,5,7,9H2,(H,18,20)
InChIKeyYZXGYBDQJNMWEE-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.34
Rot. Bonds1

About 1-(quinoline-6-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one

1-(quinoline-6-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one (PubChem CID 131644255) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-(quinoline-6-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one.

Molecular Properties

Compound Name1-(quinoline-6-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
PubChem CID131644255
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name1-(quinoline-6-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
SMILESO=C1CC2C(CCN2C(=O)c2ccc3ncccc3c2)N1
InChIInChI=1S/C16H15N3O2/c20-15-9-14-13(18-15)5-7-19(14)16(21)11-3-4-12-10(8-11)2-1-6-17-12/h1-4,6,8,13-14H,5,7,9H2,(H,18,20)
InChIKeyYZXGYBDQJNMWEE-UHFFFAOYSA-N
XLogP1.34
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(quinoline-6-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one with MolForge

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Related Compounds

1-(3-fluorobenzoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
CID 131643478
1,4-diazabicyclo[3.2.2]nonan-4-yl(quinolin-6-yl)methanone
CID 127041508
1-(3-methoxybenzoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
CID 131640170
1,4-diazabicyclo[3.2.1]octan-4-yl(quinolin-6-yl)methanone
CID 127041506
[(2R)-2-methylpiperazin-1-yl]-quinolin-6-ylmethanone
CID 82705265
3-(quinoline-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 62848994
methyl 1-(quinoline-6-carbonyl)pyrrolidine-2-carboxylate
CID 62298741
[4-(1-bromoethyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 106839347
[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 124962989
1-(quinoline-6-carbonyl)piperazine-2-carbonitrile
CID 79086471
(1S)-2-(quinoline-6-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 97316918
[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119412655

Frequently Asked Questions

What is the IUPAC name of 1-(quinoline-6-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one?
The IUPAC name of 1-(quinoline-6-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one (CID 131644255) is 1-(quinoline-6-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one.
What is the SMILES notation for 1-(quinoline-6-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one?
The canonical SMILES for 1-(quinoline-6-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one is O=C1CC2C(CCN2C(=O)c2ccc3ncccc3c2)N1.
What is the InChIKey of 1-(quinoline-6-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one?
The InChIKey is YZXGYBDQJNMWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-15-9-14-13(18-15)5-7-19(14)16(21)11-3-4-12-10(8-11)2-1-6-17-12/h1-4,6,8,13-14H,5,7,9H2,(H,18,20).
What are the key properties of 1-(quinoline-6-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one?
1-(quinoline-6-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one has a molecular weight of 281.31 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinoline-6-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one is sourced from PubChem (CID 131644255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).