3-(diethoxyphosphorylmethyl)quinoline

C14H18NO3P — CID 87383457

IUPAC3-(diethoxyphosphorylmethyl)quinoline
SMILESCCOP(=O)(Cc1cnc2ccccc2c1)OCC
InChIInChI=1S/C14H18NO3P/c1-3-17-19(16,18-4-2)11-12-9-13-7-5-6-8-14(13)15-10-12/h5-10H,3-4,11H2,1-2H3
InChIKeyBJUWJIIJBTWTMH-UHFFFAOYSA-N
MW279.28 g/mol
LogP4.00
Rot. Bonds6

About 3-(diethoxyphosphorylmethyl)quinoline

3-(diethoxyphosphorylmethyl)quinoline (PubChem CID 87383457) has the molecular formula C14H18NO3P and a molecular weight of 279.28 g/mol. Its IUPAC name is 3-(diethoxyphosphorylmethyl)quinoline.

Molecular Properties

Compound Name3-(diethoxyphosphorylmethyl)quinoline
PubChem CID87383457
Molecular FormulaC14H18NO3P
Molecular Weight279.28 g/mol
Exact Mass279.10
IUPAC Name3-(diethoxyphosphorylmethyl)quinoline
SMILESCCOP(=O)(Cc1cnc2ccccc2c1)OCC
InChIInChI=1S/C14H18NO3P/c1-3-17-19(16,18-4-2)11-12-9-13-7-5-6-8-14(13)15-10-12/h5-10H,3-4,11H2,1-2H3
InChIKeyBJUWJIIJBTWTMH-UHFFFAOYSA-N
XLogP4.00
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylpropyl)quinoline
CID 12072851
3-(3-ethoxypropyl)quinoline
CID 91801315
(2-oxo-3-quinolin-3-ylpropyl) dihydrogen phosphate
CID 167094714
2-ethyl-N-(quinolin-3-ylmethyl)butanamide
CID 110733756
N-(quinolin-3-ylmethyl)ethanamine
CID 16640553
3-ethylquinoline;quinoline
CID 174966721
quinolin-3-ylmethyl acetate
CID 101032812
2-methyl-3-quinolin-3-ylpropan-1-amine
CID 64664749
1-(diethoxyphosphorylmethyl)-4-methoxybenzene
CID 4063826
2-quinolin-3-ylethanol
CID 53403774
3-[4-(3-ethoxyphenoxy)butyl]quinoline
CID 173263735
3-(3,3-dimethylbutyl)quinoline
CID 58808300

Frequently Asked Questions

What is the IUPAC name of 3-(diethoxyphosphorylmethyl)quinoline?
The IUPAC name of 3-(diethoxyphosphorylmethyl)quinoline (CID 87383457) is 3-(diethoxyphosphorylmethyl)quinoline.
What is the SMILES notation for 3-(diethoxyphosphorylmethyl)quinoline?
The canonical SMILES for 3-(diethoxyphosphorylmethyl)quinoline is CCOP(=O)(Cc1cnc2ccccc2c1)OCC.
What is the InChIKey of 3-(diethoxyphosphorylmethyl)quinoline?
The InChIKey is BJUWJIIJBTWTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18NO3P/c1-3-17-19(16,18-4-2)11-12-9-13-7-5-6-8-14(13)15-10-12/h5-10H,3-4,11H2,1-2H3.
What are the key properties of 3-(diethoxyphosphorylmethyl)quinoline?
3-(diethoxyphosphorylmethyl)quinoline has a molecular weight of 279.28 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethoxyphosphorylmethyl)quinoline is sourced from PubChem (CID 87383457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).