3-[3-[1-(cyclopropylmethyl)cyclopropyl]propyl]-7-methoxy-1H-quinoxalin-2-one

C19H24N2O2 — CID 123978378

IUPAC3-[3-[1-(cyclopropylmethyl)cyclopropyl]propyl]-7-methoxy-1H-quinoxalin-2-one
SMILESCOc1ccc2nc(CCCC3(CC4CC4)CC3)c(=O)[nH]c2c1
InChIInChI=1S/C19H24N2O2/c1-23-14-6-7-15-17(11-14)21-18(22)16(20-15)3-2-8-19(9-10-19)12-13-4-5-13/h6-7,11,13H,2-5,8-10,12H2,1H3,(H,21,22)
InChIKeyFOEZESGWHOLALV-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.83
Rot. Bonds7

About 3-[3-[1-(cyclopropylmethyl)cyclopropyl]propyl]-7-methoxy-1H-quinoxalin-2-one

3-[3-[1-(cyclopropylmethyl)cyclopropyl]propyl]-7-methoxy-1H-quinoxalin-2-one (PubChem CID 123978378) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-[3-[1-(cyclopropylmethyl)cyclopropyl]propyl]-7-methoxy-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[3-[1-(cyclopropylmethyl)cyclopropyl]propyl]-7-methoxy-1H-quinoxalin-2-one
PubChem CID123978378
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-[3-[1-(cyclopropylmethyl)cyclopropyl]propyl]-7-methoxy-1H-quinoxalin-2-one
SMILESCOc1ccc2nc(CCCC3(CC4CC4)CC3)c(=O)[nH]c2c1
InChIInChI=1S/C19H24N2O2/c1-23-14-6-7-15-17(11-14)21-18(22)16(20-15)3-2-8-19(9-10-19)12-13-4-5-13/h6-7,11,13H,2-5,8-10,12H2,1H3,(H,21,22)
InChIKeyFOEZESGWHOLALV-UHFFFAOYSA-N
XLogP3.83
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-cyclopropyl-4,4-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one
CID 90058415
3-[5-[(1S)-3,3-difluorocyclopentyl]pentyl]-7-methoxy-1H-quinoxalin-2-one
CID 90058177
7-methoxy-3-(2-piperidin-1-ylethyl)-1H-quinoxalin-2-one
CID 173144591
3-[[1-(3-cyclopropylpropyl)cyclopropyl]-difluoromethyl]-7-methoxy-1H-quinoxalin-2-one
CID 122576125
3-[5-[(1R,2R)-2-(2,2-difluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one
CID 129058167
3-(5-cyclopentylpentyl)-7-cyclopropyloxy-1H-quinoxalin-2-one
CID 123992272
7-chloro-3-(5-cyclopropylpentyl)-1H-quinoxalin-2-one
CID 138709563
3,7-dimethoxy-1H-quinoxalin-2-one
CID 130182707
1-[2-(carboxyamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxylic acid;3-(5-cyclopropylpentyl)-7-methoxy-1H-quinoxalin-2-one;ethane
CID 144537814
3-[5-[(2S)-2-bicyclo[3.1.0]hexanyl]pentyl]-7-(trifluoromethoxy)-1H-quinoxalin-2-one
CID 129058004
3-[difluoro-[1-[3-[(1R)-2-methylcyclopropyl]propyl]cyclopropyl]methyl]-7-methoxy-1H-quinoxalin-2-one
CID 90058335
7-methoxy-3-(trifluoromethyl)-1H-quinoxalin-2-one
CID 11806856

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(cyclopropylmethyl)cyclopropyl]propyl]-7-methoxy-1H-quinoxalin-2-one?
The IUPAC name of 3-[3-[1-(cyclopropylmethyl)cyclopropyl]propyl]-7-methoxy-1H-quinoxalin-2-one (CID 123978378) is 3-[3-[1-(cyclopropylmethyl)cyclopropyl]propyl]-7-methoxy-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[3-[1-(cyclopropylmethyl)cyclopropyl]propyl]-7-methoxy-1H-quinoxalin-2-one?
The canonical SMILES for 3-[3-[1-(cyclopropylmethyl)cyclopropyl]propyl]-7-methoxy-1H-quinoxalin-2-one is COc1ccc2nc(CCCC3(CC4CC4)CC3)c(=O)[nH]c2c1.
What is the InChIKey of 3-[3-[1-(cyclopropylmethyl)cyclopropyl]propyl]-7-methoxy-1H-quinoxalin-2-one?
The InChIKey is FOEZESGWHOLALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-23-14-6-7-15-17(11-14)21-18(22)16(20-15)3-2-8-19(9-10-19)12-13-4-5-13/h6-7,11,13H,2-5,8-10,12H2,1H3,(H,21,22).
What are the key properties of 3-[3-[1-(cyclopropylmethyl)cyclopropyl]propyl]-7-methoxy-1H-quinoxalin-2-one?
3-[3-[1-(cyclopropylmethyl)cyclopropyl]propyl]-7-methoxy-1H-quinoxalin-2-one has a molecular weight of 312.41 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(cyclopropylmethyl)cyclopropyl]propyl]-7-methoxy-1H-quinoxalin-2-one is sourced from PubChem (CID 123978378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).