4,5-diethylquinoline

C13H15N — CID 154662761

IUPAC4,5-diethylquinoline
SMILESCCc1cccc2nccc(CC)c12
InChIInChI=1S/C13H15N/c1-3-10-6-5-7-12-13(10)11(4-2)8-9-14-12/h5-9H,3-4H2,1-2H3
InChIKeyBJQDDDFMDFMYGT-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.36
Rot. Bonds2

About 4,5-diethylquinoline

4,5-diethylquinoline (PubChem CID 154662761) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 4,5-diethylquinoline.

Molecular Properties

Compound Name4,5-diethylquinoline
PubChem CID154662761
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name4,5-diethylquinoline
SMILESCCc1cccc2nccc(CC)c12
InChIInChI=1S/C13H15N/c1-3-10-6-5-7-12-13(10)11(4-2)8-9-14-12/h5-9H,3-4H2,1-2H3
InChIKeyBJQDDDFMDFMYGT-UHFFFAOYSA-N
XLogP3.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;5-ethylquinoline
CID 143401043
5-ethylcinnoline
CID 147224784
5-octadecoxy-4-octadecylquinoline
CID 70411958
1-quinolin-4-ylbutan-2-one
CID 15695851
5-methyl-4-(piperidin-4-ylmethyl)quinoline
CID 18365374
ethane;7-ethylthieno[3,2-b]pyridine
CID 143768576
ethane;1,5-naphthyridine;propane
CID 142434189
butane;quinoxaline
CID 143489739
CID 173085004
CID 173085004
2,3-diethylpyridine
CID 14747123
5-ethyl-[1]benzofuro[2,3-b]pyridine
CID 143904275
(2,6-diethylphenyl)iminonickel;2-ethylpyrimidine
CID 87859710

Frequently Asked Questions

What is the IUPAC name of 4,5-diethylquinoline?
The IUPAC name of 4,5-diethylquinoline (CID 154662761) is 4,5-diethylquinoline.
What is the SMILES notation for 4,5-diethylquinoline?
The canonical SMILES for 4,5-diethylquinoline is CCc1cccc2nccc(CC)c12.
What is the InChIKey of 4,5-diethylquinoline?
The InChIKey is BJQDDDFMDFMYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-3-10-6-5-7-12-13(10)11(4-2)8-9-14-12/h5-9H,3-4H2,1-2H3.
What are the key properties of 4,5-diethylquinoline?
4,5-diethylquinoline has a molecular weight of 185.27 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethylquinoline is sourced from PubChem (CID 154662761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).