2-butyl-3-ethyl-7-methyl-1,4-dihydroquinoline

C16H23N — CID 122535319

IUPAC2-butyl-3-ethyl-7-methyl-1,4-dihydroquinoline
SMILESCCCCC1=C(CC)Cc2ccc(C)cc2N1
InChIInChI=1S/C16H23N/c1-4-6-7-15-13(5-2)11-14-9-8-12(3)10-16(14)17-15/h8-10,17H,4-7,11H2,1-3H3
InChIKeyGCJOCDUFNQZFSS-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.82
Rot. Bonds4

About 2-butyl-3-ethyl-7-methyl-1,4-dihydroquinoline

2-butyl-3-ethyl-7-methyl-1,4-dihydroquinoline (PubChem CID 122535319) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-butyl-3-ethyl-7-methyl-1,4-dihydroquinoline.

Molecular Properties

Compound Name2-butyl-3-ethyl-7-methyl-1,4-dihydroquinoline
PubChem CID122535319
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2-butyl-3-ethyl-7-methyl-1,4-dihydroquinoline
SMILESCCCCC1=C(CC)Cc2ccc(C)cc2N1
InChIInChI=1S/C16H23N/c1-4-6-7-15-13(5-2)11-14-9-8-12(3)10-16(14)17-15/h8-10,17H,4-7,11H2,1-3H3
InChIKeyGCJOCDUFNQZFSS-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-ethyl-7-methyl-1,4-dihydroquinoline?
The IUPAC name of 2-butyl-3-ethyl-7-methyl-1,4-dihydroquinoline (CID 122535319) is 2-butyl-3-ethyl-7-methyl-1,4-dihydroquinoline.
What is the SMILES notation for 2-butyl-3-ethyl-7-methyl-1,4-dihydroquinoline?
The canonical SMILES for 2-butyl-3-ethyl-7-methyl-1,4-dihydroquinoline is CCCCC1=C(CC)Cc2ccc(C)cc2N1.
What is the InChIKey of 2-butyl-3-ethyl-7-methyl-1,4-dihydroquinoline?
The InChIKey is GCJOCDUFNQZFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-4-6-7-15-13(5-2)11-14-9-8-12(3)10-16(14)17-15/h8-10,17H,4-7,11H2,1-3H3.
What are the key properties of 2-butyl-3-ethyl-7-methyl-1,4-dihydroquinoline?
2-butyl-3-ethyl-7-methyl-1,4-dihydroquinoline has a molecular weight of 229.37 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-ethyl-7-methyl-1,4-dihydroquinoline is sourced from PubChem (CID 122535319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).