[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone;dihydrochloride

C17H23Cl2FN4O — CID 120808856

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone;dihydrochloride
SMILESCc1nc2cc(F)cc(C(=O)N3CCC(C)(CN)C3)c2nc1C.Cl.Cl
InChIInChI=1S/C17H21FN4O.2ClH/c1-10-11(2)21-15-13(6-12(18)7-14(15)20-10)16(23)22-5-4-17(3,8-19)9-22;;/h6-7H,4-5,8-9,19H2,1-3H3;2*1H
InChIKeyFSNQYDSQUIHGTH-UHFFFAOYSA-N
MW389.30 g/mol
LogP3.04
Rot. Bonds2

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone;dihydrochloride

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone;dihydrochloride (PubChem CID 120808856) has the molecular formula C17H23Cl2FN4O and a molecular weight of 389.30 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone;dihydrochloride
PubChem CID120808856
Molecular FormulaC17H23Cl2FN4O
Molecular Weight389.30 g/mol
Exact Mass388.12
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone;dihydrochloride
SMILESCc1nc2cc(F)cc(C(=O)N3CCC(C)(CN)C3)c2nc1C.Cl.Cl
InChIInChI=1S/C17H21FN4O.2ClH/c1-10-11(2)21-15-13(6-12(18)7-14(15)20-10)16(23)22-5-4-17(3,8-19)9-22;;/h6-7H,4-5,8-9,19H2,1-3H3;2*1H
InChIKeyFSNQYDSQUIHGTH-UHFFFAOYSA-N
XLogP3.04
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone;dihydrochloride with MolForge

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Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride
CID 120809688
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone;hydrochloride
CID 120806262
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-fluoro-2-iodophenyl)methanone;hydrochloride
CID 120806444
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone;hydrochloride
CID 120805698
(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540009
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 120806462
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone;hydrochloride
CID 120804378
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 120804363
[4-(diethylaminomethyl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone
CID 51124020
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride
CID 120808906
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone
CID 120805049
ethyl N-[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]carbamate
CID 51120310

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone;dihydrochloride?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone;dihydrochloride (CID 120808856) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone;dihydrochloride.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone;dihydrochloride?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone;dihydrochloride is Cc1nc2cc(F)cc(C(=O)N3CCC(C)(CN)C3)c2nc1C.Cl.Cl.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone;dihydrochloride?
The InChIKey is FSNQYDSQUIHGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O.2ClH/c1-10-11(2)21-15-13(6-12(18)7-14(15)20-10)16(23)22-5-4-17(3,8-19)9-22;;/h6-7H,4-5,8-9,19H2,1-3H3;2*1H.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone;dihydrochloride?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone;dihydrochloride has a molecular weight of 389.30 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone;dihydrochloride is sourced from PubChem (CID 120808856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).