7-diethoxyphosphoryl-8-naphthalen-1-ylquinoline

C23H22NO3P — CID 132569785

IUPAC7-diethoxyphosphoryl-8-naphthalen-1-ylquinoline
SMILESCCOP(=O)(OCC)c1ccc2cccnc2c1-c1cccc2ccccc12
InChIInChI=1S/C23H22NO3P/c1-3-26-28(25,27-4-2)21-15-14-18-11-8-16-24-23(18)22(21)20-13-7-10-17-9-5-6-12-19(17)20/h5-16H,3-4H2,1-2H3
InChIKeyIWYWKTYKLHDJLO-UHFFFAOYSA-N
MW391.41 g/mol
LogP5.95
Rot. Bonds6

About 7-diethoxyphosphoryl-8-naphthalen-1-ylquinoline

7-diethoxyphosphoryl-8-naphthalen-1-ylquinoline (PubChem CID 132569785) has the molecular formula C23H22NO3P and a molecular weight of 391.41 g/mol. Its IUPAC name is 7-diethoxyphosphoryl-8-naphthalen-1-ylquinoline.

Molecular Properties

Compound Name7-diethoxyphosphoryl-8-naphthalen-1-ylquinoline
PubChem CID132569785
Molecular FormulaC23H22NO3P
Molecular Weight391.41 g/mol
Exact Mass391.13
IUPAC Name7-diethoxyphosphoryl-8-naphthalen-1-ylquinoline
SMILESCCOP(=O)(OCC)c1ccc2cccnc2c1-c1cccc2ccccc12
InChIInChI=1S/C23H22NO3P/c1-3-26-28(25,27-4-2)21-15-14-18-11-8-16-24-23(18)22(21)20-13-7-10-17-9-5-6-12-19(17)20/h5-16H,3-4H2,1-2H3
InChIKeyIWYWKTYKLHDJLO-UHFFFAOYSA-N
XLogP5.95
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.41
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-diethoxyphosphoryl-8-naphthalen-1-ylquinoline?
The IUPAC name of 7-diethoxyphosphoryl-8-naphthalen-1-ylquinoline (CID 132569785) is 7-diethoxyphosphoryl-8-naphthalen-1-ylquinoline.
What is the SMILES notation for 7-diethoxyphosphoryl-8-naphthalen-1-ylquinoline?
The canonical SMILES for 7-diethoxyphosphoryl-8-naphthalen-1-ylquinoline is CCOP(=O)(OCC)c1ccc2cccnc2c1-c1cccc2ccccc12.
What is the InChIKey of 7-diethoxyphosphoryl-8-naphthalen-1-ylquinoline?
The InChIKey is IWYWKTYKLHDJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22NO3P/c1-3-26-28(25,27-4-2)21-15-14-18-11-8-16-24-23(18)22(21)20-13-7-10-17-9-5-6-12-19(17)20/h5-16H,3-4H2,1-2H3.
What are the key properties of 7-diethoxyphosphoryl-8-naphthalen-1-ylquinoline?
7-diethoxyphosphoryl-8-naphthalen-1-ylquinoline has a molecular weight of 391.41 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-diethoxyphosphoryl-8-naphthalen-1-ylquinoline is sourced from PubChem (CID 132569785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).