(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone

C17H20FN3O2S — CID 86819215

IUPAC(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
SMILESCCCN1CCN(C(=O)c2csc(COC)n2)c2cc(F)ccc21
InChIInChI=1S/C17H20FN3O2S/c1-3-6-20-7-8-21(15-9-12(18)4-5-14(15)20)17(22)13-11-24-16(19-13)10-23-2/h4-5,9,11H,3,6-8,10H2,1-2H3
InChIKeyZNYILHQSLCRKMH-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.31
Rot. Bonds5

About (7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone

(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone (PubChem CID 86819215) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is (7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
PubChem CID86819215
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC Name(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
SMILESCCCN1CCN(C(=O)c2csc(COC)n2)c2cc(F)ccc21
InChIInChI=1S/C17H20FN3O2S/c1-3-6-20-7-8-21(15-9-12(18)4-5-14(15)20)17(22)13-11-24-16(19-13)10-23-2/h4-5,9,11H,3,6-8,10H2,1-2H3
InChIKeyZNYILHQSLCRKMH-UHFFFAOYSA-N
XLogP3.31
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone with MolForge

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Related Compounds

[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 95972666
[2-(3-fluorophenyl)piperazin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 120737603
4-[(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)methyl]-2-(methoxymethyl)-1,3-thiazole
CID 86800186
[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 48593711
1-[(3S)-3-(7-fluoro-4-propyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]ethanone
CID 99793533
[3-(4-ethylphenyl)pyrrolidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 136544722
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 66380814
[2-(aminomethyl)-1,3-thiazol-4-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119760441
[2-(methoxymethyl)-1,3-thiazol-4-yl]-[(3S)-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 95898986
(2S)-1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365625
[2-(methoxymethyl)-1,3-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 48571475
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
CID 111335370

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of (7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone (CID 86819215) is (7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone is CCCN1CCN(C(=O)c2csc(COC)n2)c2cc(F)ccc21.
What is the InChIKey of (7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is ZNYILHQSLCRKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-3-6-20-7-8-21(15-9-12(18)4-5-14(15)20)17(22)13-11-24-16(19-13)10-23-2/h4-5,9,11H,3,6-8,10H2,1-2H3.
What are the key properties of (7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone?
(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 349.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 86819215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).