(7-fluoroquinoxalin-5-yl)-(3-methylpiperazin-1-yl)methanone;dihydrochloride

C14H17Cl2FN4O — CID 119578005

IUPAC(7-fluoroquinoxalin-5-yl)-(3-methylpiperazin-1-yl)methanone;dihydrochloride
SMILESCC1CN(C(=O)c2cc(F)cc3nccnc23)CCN1.Cl.Cl
InChIInChI=1S/C14H15FN4O.2ClH/c1-9-8-19(5-4-16-9)14(20)11-6-10(15)7-12-13(11)18-3-2-17-12;;/h2-3,6-7,9,16H,4-5,8H2,1H3;2*1H
InChIKeyTWXBHRSNVSODLH-UHFFFAOYSA-N
MW347.22 g/mol
LogP2.05
Rot. Bonds1

About (7-fluoroquinoxalin-5-yl)-(3-methylpiperazin-1-yl)methanone;dihydrochloride

(7-fluoroquinoxalin-5-yl)-(3-methylpiperazin-1-yl)methanone;dihydrochloride (PubChem CID 119578005) has the molecular formula C14H17Cl2FN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is (7-fluoroquinoxalin-5-yl)-(3-methylpiperazin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(7-fluoroquinoxalin-5-yl)-(3-methylpiperazin-1-yl)methanone;dihydrochloride
PubChem CID119578005
Molecular FormulaC14H17Cl2FN4O
Molecular Weight347.22 g/mol
Exact Mass346.08
IUPAC Name(7-fluoroquinoxalin-5-yl)-(3-methylpiperazin-1-yl)methanone;dihydrochloride
SMILESCC1CN(C(=O)c2cc(F)cc3nccnc23)CCN1.Cl.Cl
InChIInChI=1S/C14H15FN4O.2ClH/c1-9-8-19(5-4-16-9)14(20)11-6-10(15)7-12-13(11)18-3-2-17-12;;/h2-3,6-7,9,16H,4-5,8H2,1H3;2*1H
InChIKeyTWXBHRSNVSODLH-UHFFFAOYSA-N
XLogP2.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-fluoro-1H-benzimidazol-4-yl)-(3-methylpiperazin-1-yl)methanone
CID 119576176
(7-fluoroquinoxalin-5-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561387
(3,5-difluorophenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576197
(5-fluoro-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579929
(4-amino-3,3-dimethylpiperidin-1-yl)-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride
CID 120819704
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride
CID 120809688
benzo[f]quinolin-5-yl-(3-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119579435
[(3R)-3-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone
CID 81426962
(3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119578686
(2,5-difluoro-3-nitrophenyl)-(3-methylpiperazin-1-yl)methanone
CID 107121642
(7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 70740511
(2-chloro-4-fluorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428671

Frequently Asked Questions

What is the IUPAC name of (7-fluoroquinoxalin-5-yl)-(3-methylpiperazin-1-yl)methanone;dihydrochloride?
The IUPAC name of (7-fluoroquinoxalin-5-yl)-(3-methylpiperazin-1-yl)methanone;dihydrochloride (CID 119578005) is (7-fluoroquinoxalin-5-yl)-(3-methylpiperazin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for (7-fluoroquinoxalin-5-yl)-(3-methylpiperazin-1-yl)methanone;dihydrochloride?
The canonical SMILES for (7-fluoroquinoxalin-5-yl)-(3-methylpiperazin-1-yl)methanone;dihydrochloride is CC1CN(C(=O)c2cc(F)cc3nccnc23)CCN1.Cl.Cl.
What is the InChIKey of (7-fluoroquinoxalin-5-yl)-(3-methylpiperazin-1-yl)methanone;dihydrochloride?
The InChIKey is TWXBHRSNVSODLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O.2ClH/c1-9-8-19(5-4-16-9)14(20)11-6-10(15)7-12-13(11)18-3-2-17-12;;/h2-3,6-7,9,16H,4-5,8H2,1H3;2*1H.
What are the key properties of (7-fluoroquinoxalin-5-yl)-(3-methylpiperazin-1-yl)methanone;dihydrochloride?
(7-fluoroquinoxalin-5-yl)-(3-methylpiperazin-1-yl)methanone;dihydrochloride has a molecular weight of 347.22 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoroquinoxalin-5-yl)-(3-methylpiperazin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 119578005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).