[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride

C15H19Cl2FN4O — CID 120809688

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride
SMILESCC1(CN)CCN(C(=O)c2cc(F)cc3nccnc23)C1.Cl.Cl
InChIInChI=1S/C15H17FN4O.2ClH/c1-15(8-17)2-5-20(9-15)14(21)11-6-10(16)7-12-13(11)19-4-3-18-12;;/h3-4,6-7H,2,5,8-9,17H2,1H3;2*1H
InChIKeyHTMIRWQDNMNMSQ-UHFFFAOYSA-N
MW361.25 g/mol
LogP2.42
Rot. Bonds2

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride (PubChem CID 120809688) has the molecular formula C15H19Cl2FN4O and a molecular weight of 361.25 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride
PubChem CID120809688
Molecular FormulaC15H19Cl2FN4O
Molecular Weight361.25 g/mol
Exact Mass360.09
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride
SMILESCC1(CN)CCN(C(=O)c2cc(F)cc3nccnc23)C1.Cl.Cl
InChIInChI=1S/C15H17FN4O.2ClH/c1-15(8-17)2-5-20(9-15)14(21)11-6-10(16)7-12-13(11)19-4-3-18-12;;/h3-4,6-7H,2,5,8-9,17H2,1H3;2*1H
InChIKeyHTMIRWQDNMNMSQ-UHFFFAOYSA-N
XLogP2.42
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone;dihydrochloride
CID 120808856
(4-amino-3,3-dimethylpiperidin-1-yl)-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride
CID 120819704
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-fluoro-2-iodophenyl)methanone;hydrochloride
CID 120806444
(7-fluoroquinoxalin-5-yl)-(3-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119578005
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone;hydrochloride
CID 120805698
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,3-difluorophenyl)methanone
CID 120805675
(7-fluoroquinoxalin-5-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561387
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 120804363
[4-(3-aminopropoxy)piperidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride
CID 119662738
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone;hydrochloride
CID 120806286
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone;hydrochloride
CID 120806998
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone;hydrochloride
CID 120806262

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride (CID 120809688) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride is CC1(CN)CCN(C(=O)c2cc(F)cc3nccnc23)C1.Cl.Cl.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride?
The InChIKey is HTMIRWQDNMNMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O.2ClH/c1-15(8-17)2-5-20(9-15)14(21)11-6-10(16)7-12-13(11)19-4-3-18-12;;/h3-4,6-7H,2,5,8-9,17H2,1H3;2*1H.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride has a molecular weight of 361.25 g/mol, XLogP of 2.42, 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-fluoroquinoxalin-5-yl)methanone;dihydrochloride is sourced from PubChem (CID 120809688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).