2-(diethoxymethyl)-6-fluoro-3-phenyl-4-pyridin-2-ylquinoline

C25H23FN2O2 — CID 134433673

IUPAC2-(diethoxymethyl)-6-fluoro-3-phenyl-4-pyridin-2-ylquinoline
SMILESCCOC(OCC)c1nc2ccc(F)cc2c(-c2ccccn2)c1-c1ccccc1
InChIInChI=1S/C25H23FN2O2/c1-3-29-25(30-4-2)24-22(17-10-6-5-7-11-17)23(21-12-8-9-15-27-21)19-16-18(26)13-14-20(19)28-24/h5-16,25H,3-4H2,1-2H3
InChIKeyNJWAQKXLZUAVDX-UHFFFAOYSA-N
MW402.47 g/mol
LogP6.17
Rot. Bonds7

About 2-(diethoxymethyl)-6-fluoro-3-phenyl-4-pyridin-2-ylquinoline

2-(diethoxymethyl)-6-fluoro-3-phenyl-4-pyridin-2-ylquinoline (PubChem CID 134433673) has the molecular formula C25H23FN2O2 and a molecular weight of 402.47 g/mol. Its IUPAC name is 2-(diethoxymethyl)-6-fluoro-3-phenyl-4-pyridin-2-ylquinoline.

Molecular Properties

Compound Name2-(diethoxymethyl)-6-fluoro-3-phenyl-4-pyridin-2-ylquinoline
PubChem CID134433673
Molecular FormulaC25H23FN2O2
Molecular Weight402.47 g/mol
Exact Mass402.17
IUPAC Name2-(diethoxymethyl)-6-fluoro-3-phenyl-4-pyridin-2-ylquinoline
SMILESCCOC(OCC)c1nc2ccc(F)cc2c(-c2ccccn2)c1-c1ccccc1
InChIInChI=1S/C25H23FN2O2/c1-3-29-25(30-4-2)24-22(17-10-6-5-7-11-17)23(21-12-8-9-15-27-21)19-16-18(26)13-14-20(19)28-24/h5-16,25H,3-4H2,1-2H3
InChIKeyNJWAQKXLZUAVDX-UHFFFAOYSA-N
XLogP6.17
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.47
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(diethoxymethyl)-6-fluoro-3-phenyl-4-pyridin-2-ylquinoline?
The IUPAC name of 2-(diethoxymethyl)-6-fluoro-3-phenyl-4-pyridin-2-ylquinoline (CID 134433673) is 2-(diethoxymethyl)-6-fluoro-3-phenyl-4-pyridin-2-ylquinoline.
What is the SMILES notation for 2-(diethoxymethyl)-6-fluoro-3-phenyl-4-pyridin-2-ylquinoline?
The canonical SMILES for 2-(diethoxymethyl)-6-fluoro-3-phenyl-4-pyridin-2-ylquinoline is CCOC(OCC)c1nc2ccc(F)cc2c(-c2ccccn2)c1-c1ccccc1.
What is the InChIKey of 2-(diethoxymethyl)-6-fluoro-3-phenyl-4-pyridin-2-ylquinoline?
The InChIKey is NJWAQKXLZUAVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O2/c1-3-29-25(30-4-2)24-22(17-10-6-5-7-11-17)23(21-12-8-9-15-27-21)19-16-18(26)13-14-20(19)28-24/h5-16,25H,3-4H2,1-2H3.
What are the key properties of 2-(diethoxymethyl)-6-fluoro-3-phenyl-4-pyridin-2-ylquinoline?
2-(diethoxymethyl)-6-fluoro-3-phenyl-4-pyridin-2-ylquinoline has a molecular weight of 402.47 g/mol, XLogP of 6.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxymethyl)-6-fluoro-3-phenyl-4-pyridin-2-ylquinoline is sourced from PubChem (CID 134433673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).