1-[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]propan-2-one

C16H17N3O2 — CID 79538785

IUPAC1-[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C16H17N3O2/c1-11(20)9-13-3-2-8-19(13)16(21)12-4-5-14-15(10-12)18-7-6-17-14/h4-7,10,13H,2-3,8-9H2,1H3
InChIKeyXLUDAXKWUPHVPW-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.21
Rot. Bonds3

About 1-[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]propan-2-one

1-[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]propan-2-one (PubChem CID 79538785) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]propan-2-one
PubChem CID79538785
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C16H17N3O2/c1-11(20)9-13-3-2-8-19(13)16(21)12-4-5-14-15(10-12)18-7-6-17-14/h4-7,10,13H,2-3,8-9H2,1H3
InChIKeyXLUDAXKWUPHVPW-UHFFFAOYSA-N
XLogP2.21
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 115316307
1-[1-(pyridine-4-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79541349
[2-(2-aminoethyl)piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 63753376
1-[1-(naphthalene-2-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79538788
1-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propan-2-one
CID 79549380
6-cyclopropyl-2-[[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923438
[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 70774316
1-[1-(3-methylbenzoyl)piperidin-2-yl]propan-2-one
CID 79549536
1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one
CID 79548958
1-[1-(3-hydroxybenzoyl)azepan-2-yl]propan-2-one
CID 79553762
1-[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]propan-2-one
CID 79541789
1-[1-(3-chloro-4-hydroxybenzoyl)piperidin-2-yl]propan-2-one
CID 79549622

Frequently Asked Questions

What is the IUPAC name of 1-[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]propan-2-one (CID 79538785) is 1-[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]propan-2-one is CC(=O)CC1CCCN1C(=O)c1ccc2nccnc2c1.
What is the InChIKey of 1-[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]propan-2-one?
The InChIKey is XLUDAXKWUPHVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11(20)9-13-3-2-8-19(13)16(21)12-4-5-14-15(10-12)18-7-6-17-14/h4-7,10,13H,2-3,8-9H2,1H3.
What are the key properties of 1-[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]propan-2-one?
1-[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]propan-2-one has a molecular weight of 283.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 79538785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).