3-(5-cyclopropyl-4,4-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one

C17H20F2N2O2 — CID 90058415

IUPAC3-(5-cyclopropyl-4,4-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one
SMILESCOc1ccc2nc(CCCC(F)(F)CC3CC3)c(=O)[nH]c2c1
InChIInChI=1S/C17H20F2N2O2/c1-23-12-6-7-13-15(9-12)21-16(22)14(20-13)3-2-8-17(18,19)10-11-4-5-11/h6-7,9,11H,2-5,8,10H2,1H3,(H,21,22)
InChIKeyBVZIAWSTCICEBO-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.69
Rot. Bonds7

About 3-(5-cyclopropyl-4,4-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one

3-(5-cyclopropyl-4,4-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one (PubChem CID 90058415) has the molecular formula C17H20F2N2O2 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-(5-cyclopropyl-4,4-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(5-cyclopropyl-4,4-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one
PubChem CID90058415
Molecular FormulaC17H20F2N2O2
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name3-(5-cyclopropyl-4,4-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one
SMILESCOc1ccc2nc(CCCC(F)(F)CC3CC3)c(=O)[nH]c2c1
InChIInChI=1S/C17H20F2N2O2/c1-23-12-6-7-13-15(9-12)21-16(22)14(20-13)3-2-8-17(18,19)10-11-4-5-11/h6-7,9,11H,2-5,8,10H2,1H3,(H,21,22)
InChIKeyBVZIAWSTCICEBO-UHFFFAOYSA-N
XLogP3.69
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5-cyclopropyl-4,4-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one with MolForge

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Related Compounds

3-[3-[1-(cyclopropylmethyl)cyclopropyl]propyl]-7-methoxy-1H-quinoxalin-2-one
CID 123978378
3-[5-[(1S)-3,3-difluorocyclopentyl]pentyl]-7-methoxy-1H-quinoxalin-2-one
CID 90058177
3-[5-[(1R,2R)-2-(2,2-difluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one
CID 129058167
7-methoxy-3-(2-piperidin-1-ylethyl)-1H-quinoxalin-2-one
CID 173144591
3-(5-cyclopentylpentyl)-7-cyclopropyloxy-1H-quinoxalin-2-one
CID 123992272
3-[[1-(3-cyclopropylpropyl)cyclopropyl]-difluoromethyl]-7-methoxy-1H-quinoxalin-2-one
CID 122576125
7-methoxy-3-(trifluoromethyl)-1H-quinoxalin-2-one
CID 11806856
7-chloro-3-(5-cyclopropylpentyl)-1H-quinoxalin-2-one
CID 138709563
3-[5-[(2S)-2-bicyclo[3.1.0]hexanyl]pentyl]-7-(trifluoromethoxy)-1H-quinoxalin-2-one
CID 129058004
7-methoxy-3-[1,1,2,2-tetrafluoro-5-[(1R)-2-methylcyclopropyl]pentyl]-1H-quinoxalin-2-one
CID 90058325
1-[2-(carboxyamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxylic acid;3-(5-cyclopropylpentyl)-7-methoxy-1H-quinoxalin-2-one;ethane
CID 144537814
3,7-dimethoxy-1H-quinoxalin-2-one
CID 130182707

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-4,4-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one?
The IUPAC name of 3-(5-cyclopropyl-4,4-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one (CID 90058415) is 3-(5-cyclopropyl-4,4-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(5-cyclopropyl-4,4-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one?
The canonical SMILES for 3-(5-cyclopropyl-4,4-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one is COc1ccc2nc(CCCC(F)(F)CC3CC3)c(=O)[nH]c2c1.
What is the InChIKey of 3-(5-cyclopropyl-4,4-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one?
The InChIKey is BVZIAWSTCICEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O2/c1-23-12-6-7-13-15(9-12)21-16(22)14(20-13)3-2-8-17(18,19)10-11-4-5-11/h6-7,9,11H,2-5,8,10H2,1H3,(H,21,22).
What are the key properties of 3-(5-cyclopropyl-4,4-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one?
3-(5-cyclopropyl-4,4-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one has a molecular weight of 322.36 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-4,4-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one is sourced from PubChem (CID 90058415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).