(2R,3S)-6-(6-fluoroquinolin-2-yl)-2-methoxy-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol

C24H19FN2O4 — CID 54356771

IUPAC(2R,3S)-6-(6-fluoroquinolin-2-yl)-2-methoxy-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol
SMILESCO[C@@H]1Oc2ccc(-c3ccc4cc(F)ccc4n3)cc2C(O)[C@@H]1Oc1cccnc1
InChIInChI=1S/C24H19FN2O4/c1-29-24-23(30-17-3-2-10-26-13-17)22(28)18-12-15(5-9-21(18)31-24)19-7-4-14-11-16(25)6-8-20(14)27-19/h2-13,22-24,28H,1H3/t22?,23-,24+/m0/s1
InChIKeyUJQKJKXHGCHMJR-YDUIRMPASA-N
MW418.42 g/mol
LogP4.28
Rot. Bonds4

About (2R,3S)-6-(6-fluoroquinolin-2-yl)-2-methoxy-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol

(2R,3S)-6-(6-fluoroquinolin-2-yl)-2-methoxy-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol (PubChem CID 54356771) has the molecular formula C24H19FN2O4 and a molecular weight of 418.42 g/mol. Its IUPAC name is (2R,3S)-6-(6-fluoroquinolin-2-yl)-2-methoxy-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(2R,3S)-6-(6-fluoroquinolin-2-yl)-2-methoxy-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol
PubChem CID54356771
Molecular FormulaC24H19FN2O4
Molecular Weight418.42 g/mol
Exact Mass418.13
IUPAC Name(2R,3S)-6-(6-fluoroquinolin-2-yl)-2-methoxy-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol
SMILESCO[C@@H]1Oc2ccc(-c3ccc4cc(F)ccc4n3)cc2C(O)[C@@H]1Oc1cccnc1
InChIInChI=1S/C24H19FN2O4/c1-29-24-23(30-17-3-2-10-26-13-17)22(28)18-12-15(5-9-21(18)31-24)19-7-4-14-11-16(25)6-8-20(14)27-19/h2-13,22-24,28H,1H3/t22?,23-,24+/m0/s1
InChIKeyUJQKJKXHGCHMJR-YDUIRMPASA-N
XLogP4.28
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R,3S)-6-(6-fluoroquinolin-2-yl)-2-methoxy-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-6-(6-fluoroquinolin-2-yl)-2-methoxy-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (2R,3S)-6-(6-fluoroquinolin-2-yl)-2-methoxy-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol (CID 54356771) is (2R,3S)-6-(6-fluoroquinolin-2-yl)-2-methoxy-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (2R,3S)-6-(6-fluoroquinolin-2-yl)-2-methoxy-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (2R,3S)-6-(6-fluoroquinolin-2-yl)-2-methoxy-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol is CO[C@@H]1Oc2ccc(-c3ccc4cc(F)ccc4n3)cc2C(O)[C@@H]1Oc1cccnc1.
What is the InChIKey of (2R,3S)-6-(6-fluoroquinolin-2-yl)-2-methoxy-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is UJQKJKXHGCHMJR-YDUIRMPASA-N. The full InChI is InChI=1S/C24H19FN2O4/c1-29-24-23(30-17-3-2-10-26-13-17)22(28)18-12-15(5-9-21(18)31-24)19-7-4-14-11-16(25)6-8-20(14)27-19/h2-13,22-24,28H,1H3/t22?,23-,24+/m0/s1.
What are the key properties of (2R,3S)-6-(6-fluoroquinolin-2-yl)-2-methoxy-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol?
(2R,3S)-6-(6-fluoroquinolin-2-yl)-2-methoxy-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 418.42 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-6-(6-fluoroquinolin-2-yl)-2-methoxy-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 54356771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).