ethane;5-fluoro-3-methylquinoline

C12H14FN — CID 156751037

IUPACethane;5-fluoro-3-methylquinoline
SMILESCC.Cc1cnc2cccc(F)c2c1
InChIInChI=1S/C10H8FN.C2H6/c1-7-5-8-9(11)3-2-4-10(8)12-6-7;1-2/h2-6H,1H3;1-2H3
InChIKeyBHJQAVGPANOROW-UHFFFAOYSA-N
MW191.25 g/mol
LogP3.71
Rot. Bonds

About ethane;5-fluoro-3-methylquinoline

ethane;5-fluoro-3-methylquinoline (PubChem CID 156751037) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is ethane;5-fluoro-3-methylquinoline.

Molecular Properties

Compound Nameethane;5-fluoro-3-methylquinoline
PubChem CID156751037
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Nameethane;5-fluoro-3-methylquinoline
SMILESCC.Cc1cnc2cccc(F)c2c1
InChIInChI=1S/C10H8FN.C2H6/c1-7-5-8-9(11)3-2-4-10(8)12-6-7;1-2/h2-6H,1H3;1-2H3
InChIKeyBHJQAVGPANOROW-UHFFFAOYSA-N
XLogP3.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methylcyclohepta[b]pyridin-5-one
CID 123494826
3-methylquinoline-5-carbonitrile
CID 23510421
3-(2,5-dimethyl-1,2,4-triazol-3-yl)-5-fluoroquinoline
CID 155911122
4-(5-fluoroquinolin-3-yl)-1,2-thiazole
CID 155918736
4-(3,5-dimethylphenyl)-7-fluoro-1-methylbenzo[f]isoquinoline
CID 154589488
3-(2-fluorophenyl)-5-methylpyridin-2-amine
CID 46311847
5-fluoro-3-(6-propan-2-yloxypyridazin-3-yl)quinoline
CID 155915889
9-methylphenanthridine
CID 10987123
2-fluoro-3-(2-fluorophenyl)-5-methylpyridine
CID 46312592
azane;1-fluoro-7-methylnaphthalene
CID 174703926
3-(2,6-difluorophenyl)-2-ethenyl-5-methylpyridine
CID 171651211
2,9-dimethyl-1,7-phenanthroline
CID 66758842

Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-3-methylquinoline?
The IUPAC name of ethane;5-fluoro-3-methylquinoline (CID 156751037) is ethane;5-fluoro-3-methylquinoline.
What is the SMILES notation for ethane;5-fluoro-3-methylquinoline?
The canonical SMILES for ethane;5-fluoro-3-methylquinoline is CC.Cc1cnc2cccc(F)c2c1.
What is the InChIKey of ethane;5-fluoro-3-methylquinoline?
The InChIKey is BHJQAVGPANOROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN.C2H6/c1-7-5-8-9(11)3-2-4-10(8)12-6-7;1-2/h2-6H,1H3;1-2H3.
What are the key properties of ethane;5-fluoro-3-methylquinoline?
ethane;5-fluoro-3-methylquinoline has a molecular weight of 191.25 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-3-methylquinoline is sourced from PubChem (CID 156751037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).