(5R)-7-fluoro-2-(hydroxymethyl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-8-ol

C19H20FNO3 — CID 143454396

IUPAC(5R)-7-fluoro-2-(hydroxymethyl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-8-ol
SMILESOCC1CCC2C(O1)c1ccc(O)c(F)c1N[C@H]2c1ccccc1
InChIInChI=1S/C19H20FNO3/c20-16-15(23)9-8-14-18(16)21-17(11-4-2-1-3-5-11)13-7-6-12(10-22)24-19(13)14/h1-5,8-9,12-13,17,19,21-23H,6-7,10H2/t12?,13?,17-,19?/m0/s1
InChIKeyTYESCSNERIBWDS-UOSIIANKSA-N
MW329.37 g/mol
LogP3.53
Rot. Bonds2

About (5R)-7-fluoro-2-(hydroxymethyl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-8-ol

(5R)-7-fluoro-2-(hydroxymethyl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-8-ol (PubChem CID 143454396) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is (5R)-7-fluoro-2-(hydroxymethyl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-8-ol.

Molecular Properties

Compound Name(5R)-7-fluoro-2-(hydroxymethyl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-8-ol
PubChem CID143454396
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name(5R)-7-fluoro-2-(hydroxymethyl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-8-ol
SMILESOCC1CCC2C(O1)c1ccc(O)c(F)c1N[C@H]2c1ccccc1
InChIInChI=1S/C19H20FNO3/c20-16-15(23)9-8-14-18(16)21-17(11-4-2-1-3-5-11)13-7-6-12(10-22)24-19(13)14/h1-5,8-9,12-13,17,19,21-23H,6-7,10H2/t12?,13?,17-,19?/m0/s1
InChIKeyTYESCSNERIBWDS-UOSIIANKSA-N
XLogP3.53
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-7-fluoro-2-(hydroxymethyl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-8-ol?
The IUPAC name of (5R)-7-fluoro-2-(hydroxymethyl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-8-ol (CID 143454396) is (5R)-7-fluoro-2-(hydroxymethyl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-8-ol.
What is the SMILES notation for (5R)-7-fluoro-2-(hydroxymethyl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-8-ol?
The canonical SMILES for (5R)-7-fluoro-2-(hydroxymethyl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-8-ol is OCC1CCC2C(O1)c1ccc(O)c(F)c1N[C@H]2c1ccccc1.
What is the InChIKey of (5R)-7-fluoro-2-(hydroxymethyl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-8-ol?
The InChIKey is TYESCSNERIBWDS-UOSIIANKSA-N. The full InChI is InChI=1S/C19H20FNO3/c20-16-15(23)9-8-14-18(16)21-17(11-4-2-1-3-5-11)13-7-6-12(10-22)24-19(13)14/h1-5,8-9,12-13,17,19,21-23H,6-7,10H2/t12?,13?,17-,19?/m0/s1.
What are the key properties of (5R)-7-fluoro-2-(hydroxymethyl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-8-ol?
(5R)-7-fluoro-2-(hydroxymethyl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-8-ol has a molecular weight of 329.37 g/mol, XLogP of 3.53, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-fluoro-2-(hydroxymethyl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-8-ol is sourced from PubChem (CID 143454396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).