5-chloro-N-[(7-fluoroquinoxalin-6-yl)methyl]-4-piperazin-1-ylpyridin-3-amine

C18H18ClFN6 — CID 168937149

IUPAC5-chloro-N-[(7-fluoroquinoxalin-6-yl)methyl]-4-piperazin-1-ylpyridin-3-amine
SMILESFc1cc2nccnc2cc1CNc1cncc(Cl)c1N1CCNCC1
InChIInChI=1S/C18H18ClFN6/c19-13-10-22-11-17(18(13)26-5-3-21-4-6-26)25-9-12-7-15-16(8-14(12)20)24-2-1-23-15/h1-2,7-8,10-11,21,25H,3-6,9H2
InChIKeyXWWZGUHKEKUANG-UHFFFAOYSA-N
MW372.84 g/mol
LogP2.84
Rot. Bonds4

About 5-chloro-N-[(7-fluoroquinoxalin-6-yl)methyl]-4-piperazin-1-ylpyridin-3-amine

5-chloro-N-[(7-fluoroquinoxalin-6-yl)methyl]-4-piperazin-1-ylpyridin-3-amine (PubChem CID 168937149) has the molecular formula C18H18ClFN6 and a molecular weight of 372.84 g/mol. Its IUPAC name is 5-chloro-N-[(7-fluoroquinoxalin-6-yl)methyl]-4-piperazin-1-ylpyridin-3-amine.

Molecular Properties

Compound Name5-chloro-N-[(7-fluoroquinoxalin-6-yl)methyl]-4-piperazin-1-ylpyridin-3-amine
PubChem CID168937149
Molecular FormulaC18H18ClFN6
Molecular Weight372.84 g/mol
Exact Mass372.13
IUPAC Name5-chloro-N-[(7-fluoroquinoxalin-6-yl)methyl]-4-piperazin-1-ylpyridin-3-amine
SMILESFc1cc2nccnc2cc1CNc1cncc(Cl)c1N1CCNCC1
InChIInChI=1S/C18H18ClFN6/c19-13-10-22-11-17(18(13)26-5-3-21-4-6-26)25-9-12-7-15-16(8-14(12)20)24-2-1-23-15/h1-2,7-8,10-11,21,25H,3-6,9H2
InChIKeyXWWZGUHKEKUANG-UHFFFAOYSA-N
XLogP2.84
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.84
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(difluoromethyl)-N-[(7-fluoroquinoxalin-6-yl)methyl]-4-[(3S)-3-methylpiperazin-1-yl]pyridin-3-amine
CID 168937044
N-[(7-fluoroquinoxalin-6-yl)methyl]-4-[(3S)-3-methylpiperazin-1-yl]-5-(trifluoromethyl)pyridin-3-amine
CID 168937151
N-[(7-fluoroquinoxalin-6-yl)methyl]-5-methoxy-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine
CID 168937285
N-[(7-chloroquinoxalin-6-yl)methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine;ethane
CID 168936940
4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine
CID 168937210
4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine
CID 168937091
5-fluoro-4-(3-methylpyrrolidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561558
3,6-dichloro-4-piperazin-1-ylquinoline
CID 121236121
5-chloro-4-piperazin-1-ylpyridine-3-carboxylic acid;piperazine
CID 173176420
5-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561696
1-(2,3,5,6-tetrafluorophenyl)piperazine
CID 21363751
N-[(7-fluoroquinoxalin-6-yl)methyl]-4-methyl-1,2-dihydropyridin-5-amine
CID 168937307

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(7-fluoroquinoxalin-6-yl)methyl]-4-piperazin-1-ylpyridin-3-amine?
The IUPAC name of 5-chloro-N-[(7-fluoroquinoxalin-6-yl)methyl]-4-piperazin-1-ylpyridin-3-amine (CID 168937149) is 5-chloro-N-[(7-fluoroquinoxalin-6-yl)methyl]-4-piperazin-1-ylpyridin-3-amine.
What is the SMILES notation for 5-chloro-N-[(7-fluoroquinoxalin-6-yl)methyl]-4-piperazin-1-ylpyridin-3-amine?
The canonical SMILES for 5-chloro-N-[(7-fluoroquinoxalin-6-yl)methyl]-4-piperazin-1-ylpyridin-3-amine is Fc1cc2nccnc2cc1CNc1cncc(Cl)c1N1CCNCC1.
What is the InChIKey of 5-chloro-N-[(7-fluoroquinoxalin-6-yl)methyl]-4-piperazin-1-ylpyridin-3-amine?
The InChIKey is XWWZGUHKEKUANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN6/c19-13-10-22-11-17(18(13)26-5-3-21-4-6-26)25-9-12-7-15-16(8-14(12)20)24-2-1-23-15/h1-2,7-8,10-11,21,25H,3-6,9H2.
What are the key properties of 5-chloro-N-[(7-fluoroquinoxalin-6-yl)methyl]-4-piperazin-1-ylpyridin-3-amine?
5-chloro-N-[(7-fluoroquinoxalin-6-yl)methyl]-4-piperazin-1-ylpyridin-3-amine has a molecular weight of 372.84 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(7-fluoroquinoxalin-6-yl)methyl]-4-piperazin-1-ylpyridin-3-amine is sourced from PubChem (CID 168937149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).