1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinoxalin-5-ylmethanamine

C15H13FN4 — CID 105102445

IUPAC1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinoxalin-5-ylmethanamine
SMILESCNC(c1cncc(F)c1)c1cccc2nccnc12
InChIInChI=1S/C15H13FN4/c1-17-14(10-7-11(16)9-18-8-10)12-3-2-4-13-15(12)20-6-5-19-13/h2-9,14,17H,1H3
InChIKeyNTABSJIRSBVWDB-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.47
Rot. Bonds3

About 1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinoxalin-5-ylmethanamine

1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinoxalin-5-ylmethanamine (PubChem CID 105102445) has the molecular formula C15H13FN4 and a molecular weight of 268.30 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinoxalin-5-ylmethanamine.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinoxalin-5-ylmethanamine
PubChem CID105102445
Molecular FormulaC15H13FN4
Molecular Weight268.30 g/mol
Exact Mass268.11
IUPAC Name1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinoxalin-5-ylmethanamine
SMILESCNC(c1cncc(F)c1)c1cccc2nccnc12
InChIInChI=1S/C15H13FN4/c1-17-14(10-7-11(16)9-18-8-10)12-3-2-4-13-15(12)20-6-5-19-13/h2-9,14,17H,1H3
InChIKeyNTABSJIRSBVWDB-UHFFFAOYSA-N
XLogP2.47
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105102666
N-methyl-1-phenyl-1-quinoxalin-5-ylmethanamine
CID 105084067
1-(2,4-difluorophenyl)-N-methyl-1-quinoxalin-5-ylmethanamine
CID 105143729
1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 105097865
N-methyl-1-(5-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine
CID 105172541
1-(4-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 54967877
1-(5-fluoro-2-pyridinyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 79712254
1-(5-fluoro-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709981
1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinolin-2-ylmethanamine
CID 63222854
(1S)-N-methyl-1-quinoxalin-5-ylethanamine
CID 131196182
1-(2,5-dimethoxyphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 115805232
1-(2-chloro-4-methylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 106857038

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinoxalin-5-ylmethanamine?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinoxalin-5-ylmethanamine (CID 105102445) is 1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinoxalin-5-ylmethanamine.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinoxalin-5-ylmethanamine?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinoxalin-5-ylmethanamine is CNC(c1cncc(F)c1)c1cccc2nccnc12.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinoxalin-5-ylmethanamine?
The InChIKey is NTABSJIRSBVWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4/c1-17-14(10-7-11(16)9-18-8-10)12-3-2-4-13-15(12)20-6-5-19-13/h2-9,14,17H,1H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinoxalin-5-ylmethanamine?
1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinoxalin-5-ylmethanamine has a molecular weight of 268.30 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinoxalin-5-ylmethanamine is sourced from PubChem (CID 105102445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).