2-ethyl-4-methyl-4,4a-dihydroquinoline

C12H15N — CID 66608600

IUPAC2-ethyl-4-methyl-4,4a-dihydroquinoline
SMILESCCC1=CC(C)C2C=CC=CC2=N1
InChIInChI=1S/C12H15N/c1-3-10-8-9(2)11-6-4-5-7-12(11)13-10/h4-9,11H,3H2,1-2H3
InChIKeyLVLMKQJBGFKAPJ-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.11
Rot. Bonds1

About 2-ethyl-4-methyl-4,4a-dihydroquinoline

2-ethyl-4-methyl-4,4a-dihydroquinoline (PubChem CID 66608600) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-ethyl-4-methyl-4,4a-dihydroquinoline.

Molecular Properties

Compound Name2-ethyl-4-methyl-4,4a-dihydroquinoline
PubChem CID66608600
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2-ethyl-4-methyl-4,4a-dihydroquinoline
SMILESCCC1=CC(C)C2C=CC=CC2=N1
InChIInChI=1S/C12H15N/c1-3-10-8-9(2)11-6-4-5-7-12(11)13-10/h4-9,11H,3H2,1-2H3
InChIKeyLVLMKQJBGFKAPJ-UHFFFAOYSA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-4,4a-dihydroquinoline?
The IUPAC name of 2-ethyl-4-methyl-4,4a-dihydroquinoline (CID 66608600) is 2-ethyl-4-methyl-4,4a-dihydroquinoline.
What is the SMILES notation for 2-ethyl-4-methyl-4,4a-dihydroquinoline?
The canonical SMILES for 2-ethyl-4-methyl-4,4a-dihydroquinoline is CCC1=CC(C)C2C=CC=CC2=N1.
What is the InChIKey of 2-ethyl-4-methyl-4,4a-dihydroquinoline?
The InChIKey is LVLMKQJBGFKAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-3-10-8-9(2)11-6-4-5-7-12(11)13-10/h4-9,11H,3H2,1-2H3.
What are the key properties of 2-ethyl-4-methyl-4,4a-dihydroquinoline?
2-ethyl-4-methyl-4,4a-dihydroquinoline has a molecular weight of 173.26 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-4,4a-dihydroquinoline is sourced from PubChem (CID 66608600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).