(3R,4S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol

C18H23FN2O2 — CID 68951547

IUPAC(3R,4S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
SMILESCc1cc(-c2c(C)noc2C)c(F)c2c1NC(C)(C)[C@H](O)[C@H]2C
InChIInChI=1S/C18H23FN2O2/c1-8-7-12(14-10(3)21-23-11(14)4)15(19)13-9(2)17(22)18(5,6)20-16(8)13/h7,9,17,20,22H,1-6H3/t9-,17+/m0/s1
InChIKeyBRUMRDVATATXKU-HUTHGQBESA-N
MW318.39 g/mol
LogP4.07
Rot. Bonds1

About (3R,4S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol

(3R,4S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol (PubChem CID 68951547) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is (3R,4S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol.

Molecular Properties

Compound Name(3R,4S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
PubChem CID68951547
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name(3R,4S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
SMILESCc1cc(-c2c(C)noc2C)c(F)c2c1NC(C)(C)[C@H](O)[C@H]2C
InChIInChI=1S/C18H23FN2O2/c1-8-7-12(14-10(3)21-23-11(14)4)15(19)13-9(2)17(22)18(5,6)20-16(8)13/h7,9,17,20,22H,1-6H3/t9-,17+/m0/s1
InChIKeyBRUMRDVATATXKU-HUTHGQBESA-N
XLogP4.07
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol?
The IUPAC name of (3R,4S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol (CID 68951547) is (3R,4S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol.
What is the SMILES notation for (3R,4S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol?
The canonical SMILES for (3R,4S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol is Cc1cc(-c2c(C)noc2C)c(F)c2c1NC(C)(C)[C@H](O)[C@H]2C.
What is the InChIKey of (3R,4S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol?
The InChIKey is BRUMRDVATATXKU-HUTHGQBESA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-8-7-12(14-10(3)21-23-11(14)4)15(19)13-9(2)17(22)18(5,6)20-16(8)13/h7,9,17,20,22H,1-6H3/t9-,17+/m0/s1.
What are the key properties of (3R,4S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol?
(3R,4S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol has a molecular weight of 318.39 g/mol, XLogP of 4.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol is sourced from PubChem (CID 68951547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).