[6-oxo-7-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]heptyl] propan-2-yl phosphate

C32H35NO6P- — CID 158057478

IUPAC[6-oxo-7-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]heptyl] propan-2-yl phosphate
SMILESCC(C)OP(=O)([O-])OCCCCCC(=O)Cc1cnc2ccccc2c1-c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C32H36NO6P/c1-24(2)39-40(35,36)38-19-10-4-7-15-28(34)20-27-22-33-31-18-9-8-17-30(31)32(27)26-14-11-16-29(21-26)37-23-25-12-5-3-6-13-25/h3,5-6,8-9,11-14,16-18,21-22,24H,4,7,10,15,19-20,23H2,1-2H3,(H,35,36)/p-1
InChIKeyFKFRPNHKGHFMGA-UHFFFAOYSA-M
MW560.61 g/mol
LogP7.06
Rot. Bonds15

About [6-oxo-7-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]heptyl] propan-2-yl phosphate

[6-oxo-7-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]heptyl] propan-2-yl phosphate (PubChem CID 158057478) has the molecular formula C32H35NO6P- and a molecular weight of 560.61 g/mol. Its IUPAC name is [6-oxo-7-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]heptyl] propan-2-yl phosphate.

Molecular Properties

Compound Name[6-oxo-7-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]heptyl] propan-2-yl phosphate
PubChem CID158057478
Molecular FormulaC32H35NO6P-
Molecular Weight560.61 g/mol
Exact Mass560.22
IUPAC Name[6-oxo-7-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]heptyl] propan-2-yl phosphate
SMILESCC(C)OP(=O)([O-])OCCCCCC(=O)Cc1cnc2ccccc2c1-c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C32H36NO6P/c1-24(2)39-40(35,36)38-19-10-4-7-15-28(34)20-27-22-33-31-18-9-8-17-30(31)32(27)26-14-11-16-29(21-26)37-23-25-12-5-3-6-13-25/h3,5-6,8-9,11-14,16-18,21-22,24H,4,7,10,15,19-20,23H2,1-2H3,(H,35,36)/p-1
InChIKeyFKFRPNHKGHFMGA-UHFFFAOYSA-M
XLogP7.06
TPSA97.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.61
LogP ≤ 57.06
H-Bond Donors ≤ 50
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

[7-oxo-8-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]octyl] propan-2-yl phosphate
CID 149369994
6-[oxido(propan-2-yloxy)phosphinothioyl]oxy-1-(4-phenylisoquinolin-3-yl)hexan-2-one;1-(4-phenylquinolin-3-yl)-6-[propan-2-yloxy(sulfido)phosphoryl]oxyhexan-2-one
CID 158631979
1-(4-phenylquinolin-3-yl)nonan-2-one
CID 149426498
4-[[2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetyl]amino]butyl propan-2-yl phosphate;methane
CID 159690152
3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]propyl propan-2-yl phosphate
CID 154030021
1-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]nonan-2-one;1-isoquinolin-3-ylnonan-2-one;1-(6-methoxy-4-phenylquinolin-3-yl)nonan-2-one;1-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]nonan-2-one;1-(1-phenylnaphthalen-2-yl)heptan-2-one;1-(1-phenylnaphthalen-2-yl)octan-2-one;1-(4-phenylquinolin-3-yl)nonan-2-one;1-quinolin-3-ylheptan-2-one;1-quinolin-3-yloctan-2-one
CID 161117513
1-(6-methoxy-4-phenylquinolin-3-yl)octan-2-one
CID 147949604
2-[4-[3-(cyclohexa-1,5-dien-1-ylmethoxy)phenyl]quinolin-3-yl]-N-hexylacetamide
CID 155200096
6-[hydroxy(propan-2-yloxy)phosphinothioyl]oxy-1-(4-phenylisoquinolin-3-yl)hexan-2-one
CID 147040689
[4-(4-ethylphenyl)phenyl]methanol;1-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]heptan-2-one;1-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]octan-2-one;1-(2-methyl-4-phenylquinolin-3-yl)heptan-2-one;1-(4-phenylisoquinolin-3-yl)heptan-2-one;1-(4-phenylquinolin-3-yl)heptan-2-one;[3-[[3-(4-propylphenyl)phenoxy]methyl]phenyl]methanol
CID 162181710
methyl 6-[2-phenyl-3-(3-phenylmethoxyphenyl)benzimidazol-5-yl]oxyhexanoate
CID 67365250
4-[[2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetyl]amino]butyl methyl phosphate
CID 142561670

Frequently Asked Questions

What is the IUPAC name of [6-oxo-7-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]heptyl] propan-2-yl phosphate?
The IUPAC name of [6-oxo-7-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]heptyl] propan-2-yl phosphate (CID 158057478) is [6-oxo-7-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]heptyl] propan-2-yl phosphate.
What is the SMILES notation for [6-oxo-7-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]heptyl] propan-2-yl phosphate?
The canonical SMILES for [6-oxo-7-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]heptyl] propan-2-yl phosphate is CC(C)OP(=O)([O-])OCCCCCC(=O)Cc1cnc2ccccc2c1-c1cccc(OCc2ccccc2)c1.
What is the InChIKey of [6-oxo-7-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]heptyl] propan-2-yl phosphate?
The InChIKey is FKFRPNHKGHFMGA-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H36NO6P/c1-24(2)39-40(35,36)38-19-10-4-7-15-28(34)20-27-22-33-31-18-9-8-17-30(31)32(27)26-14-11-16-29(21-26)37-23-25-12-5-3-6-13-25/h3,5-6,8-9,11-14,16-18,21-22,24H,4,7,10,15,19-20,23H2,1-2H3,(H,35,36)/p-1.
What are the key properties of [6-oxo-7-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]heptyl] propan-2-yl phosphate?
[6-oxo-7-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]heptyl] propan-2-yl phosphate has a molecular weight of 560.61 g/mol, XLogP of 7.06, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-oxo-7-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]heptyl] propan-2-yl phosphate is sourced from PubChem (CID 158057478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).