(2S,3R)-2-ethyl-6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline

C13H18FN — CID 139326429

IUPAC(2S,3R)-2-ethyl-6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline
SMILESCC[C@H]1[C@H](C)Cc2cc(F)ccc2N1C
InChIInChI=1S/C13H18FN/c1-4-12-9(2)7-10-8-11(14)5-6-13(10)15(12)3/h5-6,8-9,12H,4,7H2,1-3H3/t9-,12+/m1/s1
InChIKeyOJCPLXWJNLVODL-SKDRFNHKSA-N
MW207.29 g/mol
LogP3.23
Rot. Bonds1

About (2S,3R)-2-ethyl-6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline

(2S,3R)-2-ethyl-6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline (PubChem CID 139326429) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is (2S,3R)-2-ethyl-6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name(2S,3R)-2-ethyl-6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline
PubChem CID139326429
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name(2S,3R)-2-ethyl-6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline
SMILESCC[C@H]1[C@H](C)Cc2cc(F)ccc2N1C
InChIInChI=1S/C13H18FN/c1-4-12-9(2)7-10-8-11(14)5-6-13(10)15(12)3/h5-6,8-9,12H,4,7H2,1-3H3/t9-,12+/m1/s1
InChIKeyOJCPLXWJNLVODL-SKDRFNHKSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline
CID 139326271
1-[(2S,3R)-6-fluoro-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325834
(2S)-6-ethyl-1,2,3-trimethyl-3,4-dihydro-2H-quinoline
CID 144701726
(2S,3S)-2-ethyl-6-fluoro-3-methyl-1,2,3,4-tetrahydroquinoline
CID 42599529
(2S,3R)-1,2,3,6-tetramethyl-3,4-dihydro-2H-quinoline
CID 139325985
2-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propan-2-ol
CID 117201154
3-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propan-1-amine
CID 117201218
2-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)acetic acid
CID 83870307
2-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propanoic acid
CID 117201234
3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
CID 115006247
5-fluoro-1-methyl-3H-2,1-benzoxazole
CID 175342122
3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propanoic acid
CID 117201252

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-ethyl-6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline?
The IUPAC name of (2S,3R)-2-ethyl-6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline (CID 139326429) is (2S,3R)-2-ethyl-6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for (2S,3R)-2-ethyl-6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for (2S,3R)-2-ethyl-6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline is CC[C@H]1[C@H](C)Cc2cc(F)ccc2N1C.
What is the InChIKey of (2S,3R)-2-ethyl-6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline?
The InChIKey is OJCPLXWJNLVODL-SKDRFNHKSA-N. The full InChI is InChI=1S/C13H18FN/c1-4-12-9(2)7-10-8-11(14)5-6-13(10)15(12)3/h5-6,8-9,12H,4,7H2,1-3H3/t9-,12+/m1/s1.
What are the key properties of (2S,3R)-2-ethyl-6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline?
(2S,3R)-2-ethyl-6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline has a molecular weight of 207.29 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-ethyl-6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 139326429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).