3-fluoro-6-methyl-2-propan-2-ylquinoline

C13H14FN — CID 138719468

IUPAC3-fluoro-6-methyl-2-propan-2-ylquinoline
SMILESCc1ccc2nc(C(C)C)c(F)cc2c1
InChIInChI=1S/C13H14FN/c1-8(2)13-11(14)7-10-6-9(3)4-5-12(10)15-13/h4-8H,1-3H3
InChIKeySAUVEWVWIKOUPJ-UHFFFAOYSA-N
MW203.26 g/mol
LogP3.81
Rot. Bonds1

About 3-fluoro-6-methyl-2-propan-2-ylquinoline

3-fluoro-6-methyl-2-propan-2-ylquinoline (PubChem CID 138719468) has the molecular formula C13H14FN and a molecular weight of 203.26 g/mol. Its IUPAC name is 3-fluoro-6-methyl-2-propan-2-ylquinoline.

Molecular Properties

Compound Name3-fluoro-6-methyl-2-propan-2-ylquinoline
PubChem CID138719468
Molecular FormulaC13H14FN
Molecular Weight203.26 g/mol
Exact Mass203.11
IUPAC Name3-fluoro-6-methyl-2-propan-2-ylquinoline
SMILESCc1ccc2nc(C(C)C)c(F)cc2c1
InChIInChI=1S/C13H14FN/c1-8(2)13-11(14)7-10-6-9(3)4-5-12(10)15-13/h4-8H,1-3H3
InChIKeySAUVEWVWIKOUPJ-UHFFFAOYSA-N
XLogP3.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,7-dimethylacridine
CID 14490101
2-(2-fluorophenyl)-6-methylquinoline
CID 58774468
4-fluoro-6-methyl-2-propan-2-ylquinoline
CID 143840207
2,9-dimethylquinolino[2,3-b]acridine
CID 122407796
2-(4-fluorophenyl)-6-methylquinoline
CID 13224215
7-methyl-2-propan-2-ylquinoline
CID 83527005
6-fluoro-3-methyl-2-propan-2-ylquinoxaline
CID 90949663
8-methyl-4-propan-2-ylpyrrolo[1,2-a]quinoxaline
CID 177493364
(2-fluoro-4-methylphenyl)-(2-methylquinolin-6-yl)methanol
CID 115826569
6,7-difluoro-2-propan-2-ylquinoline-3-carbonitrile
CID 142184146
2-ethenyl-3-fluoro-6-methylnaphthalene
CID 58718953
6-methylcinnolin-3-amine
CID 142584156

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-methyl-2-propan-2-ylquinoline?
The IUPAC name of 3-fluoro-6-methyl-2-propan-2-ylquinoline (CID 138719468) is 3-fluoro-6-methyl-2-propan-2-ylquinoline.
What is the SMILES notation for 3-fluoro-6-methyl-2-propan-2-ylquinoline?
The canonical SMILES for 3-fluoro-6-methyl-2-propan-2-ylquinoline is Cc1ccc2nc(C(C)C)c(F)cc2c1.
What is the InChIKey of 3-fluoro-6-methyl-2-propan-2-ylquinoline?
The InChIKey is SAUVEWVWIKOUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN/c1-8(2)13-11(14)7-10-6-9(3)4-5-12(10)15-13/h4-8H,1-3H3.
What are the key properties of 3-fluoro-6-methyl-2-propan-2-ylquinoline?
3-fluoro-6-methyl-2-propan-2-ylquinoline has a molecular weight of 203.26 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-methyl-2-propan-2-ylquinoline is sourced from PubChem (CID 138719468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).