[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-isoquinolin-3-ylmethanone

C24H21F2N5O — CID 10296530

IUPAC[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-isoquinolin-3-ylmethanone
SMILESO=C(c1cc2ccccc2cn1)N1CCCCC1CNc1cnc2cc(F)c(F)cc2n1
InChIInChI=1S/C24H21F2N5O/c25-18-10-20-21(11-19(18)26)30-23(14-28-20)29-13-17-7-3-4-8-31(17)24(32)22-9-15-5-1-2-6-16(15)12-27-22/h1-2,5-6,9-12,14,17H,3-4,7-8,13H2,(H,29,30)
InChIKeyLCJHXUWQVORGTK-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.56
Rot. Bonds4

About [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-isoquinolin-3-ylmethanone

[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-isoquinolin-3-ylmethanone (PubChem CID 10296530) has the molecular formula C24H21F2N5O and a molecular weight of 433.46 g/mol. Its IUPAC name is [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-isoquinolin-3-ylmethanone.

Molecular Properties

Compound Name[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-isoquinolin-3-ylmethanone
PubChem CID10296530
Molecular FormulaC24H21F2N5O
Molecular Weight433.46 g/mol
Exact Mass433.17
IUPAC Name[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-isoquinolin-3-ylmethanone
SMILESO=C(c1cc2ccccc2cn1)N1CCCCC1CNc1cnc2cc(F)c(F)cc2n1
InChIInChI=1S/C24H21F2N5O/c25-18-10-20-21(11-19(18)26)30-23(14-28-20)29-13-17-7-3-4-8-31(17)24(32)22-9-15-5-1-2-6-16(15)12-27-22/h1-2,5-6,9-12,14,17H,3-4,7-8,13H2,(H,29,30)
InChIKeyLCJHXUWQVORGTK-UHFFFAOYSA-N
XLogP4.56
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-isoquinolin-3-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-naphthalen-1-ylmethanone
CID 67090343
[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1-methylindol-2-yl)methanone
CID 67090360
2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylic acid
CID 67090810
1-[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-2-naphthalen-2-ylethanone
CID 138650688
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 10298609
[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 67089912
3H-benzimidazol-5-yl-[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 10295783
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone
CID 67090606
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-[3-(dimethylamino)propoxy]phenyl]methanone
CID 10227845
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-[5-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 67090586
2-[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidine-1-carbonyl]-7-fluoro-1-benzofuran-3-one
CID 69308206
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-1-methyltriazol-4-yl]methanone
CID 67090365

Frequently Asked Questions

What is the IUPAC name of [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-isoquinolin-3-ylmethanone?
The IUPAC name of [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-isoquinolin-3-ylmethanone (CID 10296530) is [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-isoquinolin-3-ylmethanone.
What is the SMILES notation for [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-isoquinolin-3-ylmethanone?
The canonical SMILES for [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-isoquinolin-3-ylmethanone is O=C(c1cc2ccccc2cn1)N1CCCCC1CNc1cnc2cc(F)c(F)cc2n1.
What is the InChIKey of [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-isoquinolin-3-ylmethanone?
The InChIKey is LCJHXUWQVORGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O/c25-18-10-20-21(11-19(18)26)30-23(14-28-20)29-13-17-7-3-4-8-31(17)24(32)22-9-15-5-1-2-6-16(15)12-27-22/h1-2,5-6,9-12,14,17H,3-4,7-8,13H2,(H,29,30).
What are the key properties of [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-isoquinolin-3-ylmethanone?
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-isoquinolin-3-ylmethanone has a molecular weight of 433.46 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-isoquinolin-3-ylmethanone is sourced from PubChem (CID 10296530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).