1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol

C17H25FN2O3 — CID 75386813

IUPAC1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESCN1CCN(CC(O)COCC2CCCO2)c2ccc(F)cc21
InChIInChI=1S/C17H25FN2O3/c1-19-6-7-20(16-5-4-13(18)9-17(16)19)10-14(21)11-22-12-15-3-2-8-23-15/h4-5,9,14-15,21H,2-3,6-8,10-12H2,1H3
InChIKeyVMOPSDALXRPRQF-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.64
Rot. Bonds6

About 1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol

1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol (PubChem CID 75386813) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
PubChem CID75386813
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESCN1CCN(CC(O)COCC2CCCO2)c2ccc(F)cc21
InChIInChI=1S/C17H25FN2O3/c1-19-6-7-20(16-5-4-13(18)9-17(16)19)10-14(21)11-22-12-15-3-2-8-23-15/h4-5,9,14-15,21H,2-3,6-8,10-12H2,1H3
InChIKeyVMOPSDALXRPRQF-UHFFFAOYSA-N
XLogP1.64
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol with MolForge

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Related Compounds

(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 31263826
(2S)-1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 124740644
1-(2-chloro-4-fluoroanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60900045
(2S)-1-[4-[(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 124823947
1-(2,5-difluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine
CID 45283478
1-(4,4-dimethylazepan-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111462766
1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111335534
4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol
CID 78836914
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 71892076
1-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111462681
1-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111336725
1-(oxolan-2-ylmethoxy)-3-(2-propan-2-ylpiperidin-1-yl)propan-2-ol
CID 111424785

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol (CID 75386813) is 1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol is CN1CCN(CC(O)COCC2CCCO2)c2ccc(F)cc21.
What is the InChIKey of 1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol?
The InChIKey is VMOPSDALXRPRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-19-6-7-20(16-5-4-13(18)9-17(16)19)10-14(21)11-22-12-15-3-2-8-23-15/h4-5,9,14-15,21H,2-3,6-8,10-12H2,1H3.
What are the key properties of 1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol?
1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol has a molecular weight of 324.40 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 75386813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).