1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-(oxolan-3-ylmethoxy)ethanone

C18H25FN2O3 — CID 86819211

IUPAC1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-(oxolan-3-ylmethoxy)ethanone
SMILESCCCN1CCN(C(=O)COCC2CCOC2)c2cc(F)ccc21
InChIInChI=1S/C18H25FN2O3/c1-2-6-20-7-8-21(17-10-15(19)3-4-16(17)20)18(22)13-24-12-14-5-9-23-11-14/h3-4,10,14H,2,5-9,11-13H2,1H3
InChIKeyCGRPECBCGWMIFF-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.44
Rot. Bonds6

About 1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-(oxolan-3-ylmethoxy)ethanone

1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-(oxolan-3-ylmethoxy)ethanone (PubChem CID 86819211) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-(oxolan-3-ylmethoxy)ethanone.

Molecular Properties

Compound Name1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-(oxolan-3-ylmethoxy)ethanone
PubChem CID86819211
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-(oxolan-3-ylmethoxy)ethanone
SMILESCCCN1CCN(C(=O)COCC2CCOC2)c2cc(F)ccc21
InChIInChI=1S/C18H25FN2O3/c1-2-6-20-7-8-21(17-10-15(19)3-4-16(17)20)18(22)13-24-12-14-5-9-23-11-14/h3-4,10,14H,2,5-9,11-13H2,1H3
InChIKeyCGRPECBCGWMIFF-UHFFFAOYSA-N
XLogP2.44
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-(oxolan-3-ylmethoxy)ethanone with MolForge

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Related Compounds

1-[(3S)-3-(7-fluoro-4-propyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]ethanone
CID 99793533
5-fluoro-2-(oxolan-3-ylmethoxymethyl)benzoic acid
CID 63292791
(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(1-methylsulfonylcyclobutyl)methanone
CID 136539387
(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-3-pyridinyl)methanone
CID 146089015
[5-fluoro-2-[[(3R)-oxolan-3-yl]methoxy]phenyl]boronic acid
CID 99773305
1-[4-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanone
CID 63067473
1-(3,4-difluorophenyl)-2-(oxolan-3-ylmethoxy)ethanone
CID 54977402
1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-pyrazolo[4,5-b]pyridin-1-ylethanone
CID 146148610
(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 86819215
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-[[(3R)-oxolan-3-yl]methoxy]acetamide
CID 95349735
1-[2-(oxolan-3-ylmethoxy)acetyl]piperidin-4-one
CID 54977254
2-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 119899727

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-(oxolan-3-ylmethoxy)ethanone?
The IUPAC name of 1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-(oxolan-3-ylmethoxy)ethanone (CID 86819211) is 1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-(oxolan-3-ylmethoxy)ethanone.
What is the SMILES notation for 1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-(oxolan-3-ylmethoxy)ethanone?
The canonical SMILES for 1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-(oxolan-3-ylmethoxy)ethanone is CCCN1CCN(C(=O)COCC2CCOC2)c2cc(F)ccc21.
What is the InChIKey of 1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-(oxolan-3-ylmethoxy)ethanone?
The InChIKey is CGRPECBCGWMIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-2-6-20-7-8-21(17-10-15(19)3-4-16(17)20)18(22)13-24-12-14-5-9-23-11-14/h3-4,10,14H,2,5-9,11-13H2,1H3.
What are the key properties of 1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-(oxolan-3-ylmethoxy)ethanone?
1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-(oxolan-3-ylmethoxy)ethanone has a molecular weight of 336.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-(oxolan-3-ylmethoxy)ethanone is sourced from PubChem (CID 86819211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).