2-(6-amino-8-naphthalen-1-ylquinolin-2-yl)ethenyl-butan-2-yloxyphosphinic acid

C25H25N2O3P — CID 173060249

IUPAC2-(6-amino-8-naphthalen-1-ylquinolin-2-yl)ethenyl-butan-2-yloxyphosphinic acid
SMILESCCC(C)OP(=O)(O)C=Cc1ccc2cc(N)cc(-c3cccc4ccccc34)c2n1
InChIInChI=1S/C25H25N2O3P/c1-3-17(2)30-31(28,29)14-13-21-12-11-19-15-20(26)16-24(25(19)27-21)23-10-6-8-18-7-4-5-9-22(18)23/h4-17H,3,26H2,1-2H3,(H,28,29)
InChIKeyZFIHISXHQIVMES-UHFFFAOYSA-N
MW432.46 g/mol
LogP6.61
Rot. Bonds6

About 2-(6-amino-8-naphthalen-1-ylquinolin-2-yl)ethenyl-butan-2-yloxyphosphinic acid

2-(6-amino-8-naphthalen-1-ylquinolin-2-yl)ethenyl-butan-2-yloxyphosphinic acid (PubChem CID 173060249) has the molecular formula C25H25N2O3P and a molecular weight of 432.46 g/mol. Its IUPAC name is 2-(6-amino-8-naphthalen-1-ylquinolin-2-yl)ethenyl-butan-2-yloxyphosphinic acid.

Molecular Properties

Compound Name2-(6-amino-8-naphthalen-1-ylquinolin-2-yl)ethenyl-butan-2-yloxyphosphinic acid
PubChem CID173060249
Molecular FormulaC25H25N2O3P
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC Name2-(6-amino-8-naphthalen-1-ylquinolin-2-yl)ethenyl-butan-2-yloxyphosphinic acid
SMILESCCC(C)OP(=O)(O)C=Cc1ccc2cc(N)cc(-c3cccc4ccccc34)c2n1
InChIInChI=1S/C25H25N2O3P/c1-3-17(2)30-31(28,29)14-13-21-12-11-19-15-20(26)16-24(25(19)27-21)23-10-6-8-18-7-4-5-9-22(18)23/h4-17H,3,26H2,1-2H3,(H,28,29)
InChIKeyZFIHISXHQIVMES-UHFFFAOYSA-N
XLogP6.61
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.46
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butan-2-yloxy-[2-(8-naphthalen-1-yl-6-nitroquinolin-2-yl)ethenyl]phosphinic acid
CID 173060226
butan-2-yloxy-[2-[8-naphthalen-1-yl-6-(pyridine-3-carbonylamino)quinolin-2-yl]ethenyl]phosphinic acid
CID 173060308
2-[6-(methanesulfonamido)-8-naphthalen-1-ylquinolin-2-yl]ethenylphosphonic acid
CID 67283637
8-naphthalen-1-ylquinoline-2,6-diamine
CID 89148746
butan-2-yloxy-[2-(8-naphthalen-1-ylquinolin-2-yl)ethyl]phosphinic acid
CID 87337410
butan-2-yloxy-[[(8-naphthalen-1-ylquinoline-2-carbonyl)amino]methyl]phosphinic acid
CID 87338125
methyl (2S)-2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-3-methylpentanoate
CID 59948895
1-naphthalen-1-ylnaphthalene;phosphoric acid;triethyl(methyl)azanium
CID 174870866
[3-(2-diethoxyphosphoryl-8-naphthalen-1-ylquinolin-6-yl)pyrrol-1-yl]-tri(propan-2-yl)silane
CID 87337887
butan-2-yloxy-[4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphinic acid
CID 173322636
butan-2-yloxy-[(2-hydroxynaphthalen-1-yl)methyl]phosphinic acid
CID 87175695
[2-[(E)-2-anthracen-9-ylethenyl]quinolin-8-yl] acetate
CID 141407531

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-8-naphthalen-1-ylquinolin-2-yl)ethenyl-butan-2-yloxyphosphinic acid?
The IUPAC name of 2-(6-amino-8-naphthalen-1-ylquinolin-2-yl)ethenyl-butan-2-yloxyphosphinic acid (CID 173060249) is 2-(6-amino-8-naphthalen-1-ylquinolin-2-yl)ethenyl-butan-2-yloxyphosphinic acid.
What is the SMILES notation for 2-(6-amino-8-naphthalen-1-ylquinolin-2-yl)ethenyl-butan-2-yloxyphosphinic acid?
The canonical SMILES for 2-(6-amino-8-naphthalen-1-ylquinolin-2-yl)ethenyl-butan-2-yloxyphosphinic acid is CCC(C)OP(=O)(O)C=Cc1ccc2cc(N)cc(-c3cccc4ccccc34)c2n1.
What is the InChIKey of 2-(6-amino-8-naphthalen-1-ylquinolin-2-yl)ethenyl-butan-2-yloxyphosphinic acid?
The InChIKey is ZFIHISXHQIVMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N2O3P/c1-3-17(2)30-31(28,29)14-13-21-12-11-19-15-20(26)16-24(25(19)27-21)23-10-6-8-18-7-4-5-9-22(18)23/h4-17H,3,26H2,1-2H3,(H,28,29).
What are the key properties of 2-(6-amino-8-naphthalen-1-ylquinolin-2-yl)ethenyl-butan-2-yloxyphosphinic acid?
2-(6-amino-8-naphthalen-1-ylquinolin-2-yl)ethenyl-butan-2-yloxyphosphinic acid has a molecular weight of 432.46 g/mol, XLogP of 6.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-8-naphthalen-1-ylquinolin-2-yl)ethenyl-butan-2-yloxyphosphinic acid is sourced from PubChem (CID 173060249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).