4-[[2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetyl]amino]butyl methyl phosphate

C24H28N2O6P- — CID 142561670

IUPAC4-[[2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetyl]amino]butyl methyl phosphate
SMILESCOP(=O)([O-])OCCCCNC(=O)Cc1cnc2c(CCO)cccc2c1-c1ccccc1
InChIInChI=1S/C24H29N2O6P/c1-31-33(29,30)32-15-6-5-13-25-22(28)16-20-17-26-24-19(12-14-27)10-7-11-21(24)23(20)18-8-3-2-4-9-18/h2-4,7-11,17,27H,5-6,12-16H2,1H3,(H,25,28)(H,29,30)/p-1
InChIKeyPFTBULKVAKOHMK-UHFFFAOYSA-M
MW471.47 g/mol
LogP3.01
Rot. Bonds12

About 4-[[2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetyl]amino]butyl methyl phosphate

4-[[2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetyl]amino]butyl methyl phosphate (PubChem CID 142561670) has the molecular formula C24H28N2O6P- and a molecular weight of 471.47 g/mol. Its IUPAC name is 4-[[2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetyl]amino]butyl methyl phosphate.

Molecular Properties

Compound Name4-[[2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetyl]amino]butyl methyl phosphate
PubChem CID142561670
Molecular FormulaC24H28N2O6P-
Molecular Weight471.47 g/mol
Exact Mass471.17
IUPAC Name4-[[2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetyl]amino]butyl methyl phosphate
SMILESCOP(=O)([O-])OCCCCNC(=O)Cc1cnc2c(CCO)cccc2c1-c1ccccc1
InChIInChI=1S/C24H29N2O6P/c1-31-33(29,30)32-15-6-5-13-25-22(28)16-20-17-26-24-19(12-14-27)10-7-11-21(24)23(20)18-8-3-2-4-9-18/h2-4,7-11,17,27H,5-6,12-16H2,1H3,(H,25,28)(H,29,30)/p-1
InChIKeyPFTBULKVAKOHMK-UHFFFAOYSA-M
XLogP3.01
TPSA120.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.47
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetyl]amino]butyl propan-2-yl phosphate;methane
CID 159690152
N-(4-hydroxybutyl)-2-(4-phenyl-8-propylquinolin-3-yl)acetamide
CID 144823376
ethyl 2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetate
CID 146289919
4-[[2-(1-phenylnaphthalen-2-yl)acetyl]amino]butyl propan-2-yl hydrogen phosphate
CID 122435992
3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]propyl propan-2-yl phosphate
CID 154030021
N-butyl-2-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]acetamide
CID 123824387
butan-1-amine;2-[8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-phenylquinolin-3-yl]acetic acid;1-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]heptan-2-one;1-hydroxypyrrolidine-2,5-dione
CID 158488427
6-[(2-azidoacetyl)amino]hexyl methyl phosphate
CID 59620616
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 112612673
N-(3-hydroxypropyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 110878183
[7-oxo-8-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]octyl] propan-2-yl phosphate
CID 149369994
ethane;methyl 4-[[2-(2-methyl-4-phenyl-6,7-dihydroquinolin-3-yl)acetyl]amino]butyl hydrogen phosphate;molecular hydrogen
CID 144823006

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetyl]amino]butyl methyl phosphate?
The IUPAC name of 4-[[2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetyl]amino]butyl methyl phosphate (CID 142561670) is 4-[[2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetyl]amino]butyl methyl phosphate.
What is the SMILES notation for 4-[[2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetyl]amino]butyl methyl phosphate?
The canonical SMILES for 4-[[2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetyl]amino]butyl methyl phosphate is COP(=O)([O-])OCCCCNC(=O)Cc1cnc2c(CCO)cccc2c1-c1ccccc1.
What is the InChIKey of 4-[[2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetyl]amino]butyl methyl phosphate?
The InChIKey is PFTBULKVAKOHMK-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H29N2O6P/c1-31-33(29,30)32-15-6-5-13-25-22(28)16-20-17-26-24-19(12-14-27)10-7-11-21(24)23(20)18-8-3-2-4-9-18/h2-4,7-11,17,27H,5-6,12-16H2,1H3,(H,25,28)(H,29,30)/p-1.
What are the key properties of 4-[[2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetyl]amino]butyl methyl phosphate?
4-[[2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetyl]amino]butyl methyl phosphate has a molecular weight of 471.47 g/mol, XLogP of 3.01, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetyl]amino]butyl methyl phosphate is sourced from PubChem (CID 142561670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).