ethane;6-ethyl-7-fluoroquinoline

C13H16FN — CID 142320503

IUPACethane;6-ethyl-7-fluoroquinoline
SMILESCC.CCc1cc2cccnc2cc1F
InChIInChI=1S/C11H10FN.C2H6/c1-2-8-6-9-4-3-5-13-11(9)7-10(8)12;1-2/h3-7H,2H2,1H3;1-2H3
InChIKeyXVKNRGOIEFVPRT-UHFFFAOYSA-N
MW205.28 g/mol
LogP3.96
Rot. Bonds1

About ethane;6-ethyl-7-fluoroquinoline

ethane;6-ethyl-7-fluoroquinoline (PubChem CID 142320503) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is ethane;6-ethyl-7-fluoroquinoline.

Molecular Properties

Compound Nameethane;6-ethyl-7-fluoroquinoline
PubChem CID142320503
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Nameethane;6-ethyl-7-fluoroquinoline
SMILESCC.CCc1cc2cccnc2cc1F
InChIInChI=1S/C11H10FN.C2H6/c1-2-8-6-9-4-3-5-13-11(9)7-10(8)12;1-2/h3-7H,2H2,1H3;1-2H3
InChIKeyXVKNRGOIEFVPRT-UHFFFAOYSA-N
XLogP3.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(7-fluoroquinolin-6-yl)methyl]-2-phenylhydrazine
CID 169385532
7-fluoroquinoline-6-carboxylic acid
CID 77174821
1-(7-fluoroquinolin-6-yl)ethanol
CID 66927200
7-tert-butyl-6-propylquinoline;ethane;methane
CID 164925406
6-fluoroquinoline-7-carboxylic acid
CID 175475921
3-fluoro-2-[(7-fluoroquinolin-6-yl)methylamino]cyclohexan-1-ol
CID 177146065
ethane;5-ethylquinoline
CID 143401043
ethane;ethylbenzene;6-ethylquinoline
CID 143817758
3-ethyl-2-pyridin-2-ylquinoline
CID 71056975
ethane;1,5-naphthyridine;propane
CID 142434189
6,7-di(propan-2-yl)quinoline;ethane
CID 157071831
3-(7-fluoroquinolin-6-yl)prop-2-enamide
CID 169482434

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-7-fluoroquinoline?
The IUPAC name of ethane;6-ethyl-7-fluoroquinoline (CID 142320503) is ethane;6-ethyl-7-fluoroquinoline.
What is the SMILES notation for ethane;6-ethyl-7-fluoroquinoline?
The canonical SMILES for ethane;6-ethyl-7-fluoroquinoline is CC.CCc1cc2cccnc2cc1F.
What is the InChIKey of ethane;6-ethyl-7-fluoroquinoline?
The InChIKey is XVKNRGOIEFVPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN.C2H6/c1-2-8-6-9-4-3-5-13-11(9)7-10(8)12;1-2/h3-7H,2H2,1H3;1-2H3.
What are the key properties of ethane;6-ethyl-7-fluoroquinoline?
ethane;6-ethyl-7-fluoroquinoline has a molecular weight of 205.28 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-7-fluoroquinoline is sourced from PubChem (CID 142320503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).