[4-[5-amino-6-(1-quinolin-6-ylethylamino)pyrazin-2-yl]phenyl]methyl-methylphosphinic acid

C23H24N5O2P — CID 175621692

IUPAC[4-[5-amino-6-(1-quinolin-6-ylethylamino)pyrazin-2-yl]phenyl]methyl-methylphosphinic acid
SMILESCC(Nc1nc(-c2ccc(CP(C)(=O)O)cc2)cnc1N)c1ccc2ncccc2c1
InChIInChI=1S/C23H24N5O2P/c1-15(18-9-10-20-19(12-18)4-3-11-25-20)27-23-22(24)26-13-21(28-23)17-7-5-16(6-8-17)14-31(2,29)30/h3-13,15H,14H2,1-2H3,(H2,24,26)(H,27,28)(H,29,30)
InChIKeyDRJMASWMDJNBPB-UHFFFAOYSA-N
MW433.45 g/mol
LogP4.85
Rot. Bonds6

About [4-[5-amino-6-(1-quinolin-6-ylethylamino)pyrazin-2-yl]phenyl]methyl-methylphosphinic acid

[4-[5-amino-6-(1-quinolin-6-ylethylamino)pyrazin-2-yl]phenyl]methyl-methylphosphinic acid (PubChem CID 175621692) has the molecular formula C23H24N5O2P and a molecular weight of 433.45 g/mol. Its IUPAC name is [4-[5-amino-6-(1-quinolin-6-ylethylamino)pyrazin-2-yl]phenyl]methyl-methylphosphinic acid.

Molecular Properties

Compound Name[4-[5-amino-6-(1-quinolin-6-ylethylamino)pyrazin-2-yl]phenyl]methyl-methylphosphinic acid
PubChem CID175621692
Molecular FormulaC23H24N5O2P
Molecular Weight433.45 g/mol
Exact Mass433.17
IUPAC Name[4-[5-amino-6-(1-quinolin-6-ylethylamino)pyrazin-2-yl]phenyl]methyl-methylphosphinic acid
SMILESCC(Nc1nc(-c2ccc(CP(C)(=O)O)cc2)cnc1N)c1ccc2ncccc2c1
InChIInChI=1S/C23H24N5O2P/c1-15(18-9-10-20-19(12-18)4-3-11-25-20)27-23-22(24)26-13-21(28-23)17-7-5-16(6-8-17)14-31(2,29)30/h3-13,15H,14H2,1-2H3,(H2,24,26)(H,27,28)(H,29,30)
InChIKeyDRJMASWMDJNBPB-UHFFFAOYSA-N
XLogP4.85
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [4-[5-amino-6-(1-quinolin-6-ylethylamino)pyrazin-2-yl]phenyl]methyl-methylphosphinic acid with MolForge

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Related Compounds

CID 89318427
CID 89318427
3-methyl-2-quinolin-6-ylbutanoic acid
CID 81224451
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
2-quinolin-6-ylpropan-1-amine
CID 79002101
N-[1-(3,4-difluorophenyl)ethyl]quinolin-6-amine
CID 62634409
6-[6-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 139321368
ethyl (2R)-2-quinolin-6-ylpropanoate
CID 86328869
2-(4-methylphenyl)-1-quinolin-6-ylethanamine
CID 63097383
(4-ethylphenyl)-quinolin-6-ylmethanol
CID 62876415
6-propan-2-ylquinoline;sulfur dioxide
CID 162251791
N-propyl-1-quinolin-6-ylethane-1,2-diamine
CID 63967677
methyl 3-hydroxy-2-methyl-3-quinolin-6-ylpropanoate
CID 63971839

Frequently Asked Questions

What is the IUPAC name of [4-[5-amino-6-(1-quinolin-6-ylethylamino)pyrazin-2-yl]phenyl]methyl-methylphosphinic acid?
The IUPAC name of [4-[5-amino-6-(1-quinolin-6-ylethylamino)pyrazin-2-yl]phenyl]methyl-methylphosphinic acid (CID 175621692) is [4-[5-amino-6-(1-quinolin-6-ylethylamino)pyrazin-2-yl]phenyl]methyl-methylphosphinic acid.
What is the SMILES notation for [4-[5-amino-6-(1-quinolin-6-ylethylamino)pyrazin-2-yl]phenyl]methyl-methylphosphinic acid?
The canonical SMILES for [4-[5-amino-6-(1-quinolin-6-ylethylamino)pyrazin-2-yl]phenyl]methyl-methylphosphinic acid is CC(Nc1nc(-c2ccc(CP(C)(=O)O)cc2)cnc1N)c1ccc2ncccc2c1.
What is the InChIKey of [4-[5-amino-6-(1-quinolin-6-ylethylamino)pyrazin-2-yl]phenyl]methyl-methylphosphinic acid?
The InChIKey is DRJMASWMDJNBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N5O2P/c1-15(18-9-10-20-19(12-18)4-3-11-25-20)27-23-22(24)26-13-21(28-23)17-7-5-16(6-8-17)14-31(2,29)30/h3-13,15H,14H2,1-2H3,(H2,24,26)(H,27,28)(H,29,30).
What are the key properties of [4-[5-amino-6-(1-quinolin-6-ylethylamino)pyrazin-2-yl]phenyl]methyl-methylphosphinic acid?
[4-[5-amino-6-(1-quinolin-6-ylethylamino)pyrazin-2-yl]phenyl]methyl-methylphosphinic acid has a molecular weight of 433.45 g/mol, XLogP of 4.85, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-amino-6-(1-quinolin-6-ylethylamino)pyrazin-2-yl]phenyl]methyl-methylphosphinic acid is sourced from PubChem (CID 175621692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).