2,8-dimethyl-7-[(Z)-3-methylbut-1-enyl]quinoline

C16H19N — CID 139322254

IUPAC2,8-dimethyl-7-[(Z)-3-methylbut-1-enyl]quinoline
SMILESCc1ccc2ccc(/C=C\C(C)C)c(C)c2n1
InChIInChI=1S/C16H19N/c1-11(2)5-7-14-9-10-15-8-6-12(3)17-16(15)13(14)4/h5-11H,1-4H3/b7-5-
InChIKeyUOOUUZLMAIVJGB-ALCCZGGFSA-N
MW225.33 g/mol
LogP4.52
Rot. Bonds2

About 2,8-dimethyl-7-[(Z)-3-methylbut-1-enyl]quinoline

2,8-dimethyl-7-[(Z)-3-methylbut-1-enyl]quinoline (PubChem CID 139322254) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is 2,8-dimethyl-7-[(Z)-3-methylbut-1-enyl]quinoline.

Molecular Properties

Compound Name2,8-dimethyl-7-[(Z)-3-methylbut-1-enyl]quinoline
PubChem CID139322254
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name2,8-dimethyl-7-[(Z)-3-methylbut-1-enyl]quinoline
SMILESCc1ccc2ccc(/C=C\C(C)C)c(C)c2n1
InChIInChI=1S/C16H19N/c1-11(2)5-7-14-9-10-15-8-6-12(3)17-16(15)13(14)4/h5-11H,1-4H3/b7-5-
InChIKeyUOOUUZLMAIVJGB-ALCCZGGFSA-N
XLogP4.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,8-dimethyl-7-[(1Z)-3-methylbuta-1,3-dienyl]quinoline;ethane
CID 144612420
2,8-dimethyl-1,7-naphthyridine
CID 118895197
2-methyl-9-[4-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 59010507
2,7-dimethyl-1,8-naphthyridine
CID 594113
4,6-dimethylpyrido[3,2-d]pyrimidine;ethane
CID 166106712
cyclohexa-2,5-diene-1,4-dione;2,9-dimethyl-1,10-phenanthroline
CID 22717418
2-bromo-3-[(Z)-2-(2-bromo-6-methyl-3-pyridinyl)ethenyl]-6-methylpyridine
CID 16680859
2,9-dimethyl-1,7-phenanthroline
CID 66758842
CID 66916636
CID 66916636
CID 6371660
CID 6371660
1-(3-hydroxy-2,6-dimethyl-1,5-naphthyridin-4-yl)ethanone
CID 136628479
7-bromo-2-methyl-8-propan-2-yloxyquinoline
CID 70984179

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-7-[(Z)-3-methylbut-1-enyl]quinoline?
The IUPAC name of 2,8-dimethyl-7-[(Z)-3-methylbut-1-enyl]quinoline (CID 139322254) is 2,8-dimethyl-7-[(Z)-3-methylbut-1-enyl]quinoline.
What is the SMILES notation for 2,8-dimethyl-7-[(Z)-3-methylbut-1-enyl]quinoline?
The canonical SMILES for 2,8-dimethyl-7-[(Z)-3-methylbut-1-enyl]quinoline is Cc1ccc2ccc(/C=C\C(C)C)c(C)c2n1.
What is the InChIKey of 2,8-dimethyl-7-[(Z)-3-methylbut-1-enyl]quinoline?
The InChIKey is UOOUUZLMAIVJGB-ALCCZGGFSA-N. The full InChI is InChI=1S/C16H19N/c1-11(2)5-7-14-9-10-15-8-6-12(3)17-16(15)13(14)4/h5-11H,1-4H3/b7-5-.
What are the key properties of 2,8-dimethyl-7-[(Z)-3-methylbut-1-enyl]quinoline?
2,8-dimethyl-7-[(Z)-3-methylbut-1-enyl]quinoline has a molecular weight of 225.33 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-7-[(Z)-3-methylbut-1-enyl]quinoline is sourced from PubChem (CID 139322254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).