6-butan-2-yl-2-ethyl-3-methylquinoline

C16H21N — CID 11160508

IUPAC6-butan-2-yl-2-ethyl-3-methylquinoline
SMILESCCc1nc2ccc(C(C)CC)cc2cc1C
InChIInChI=1S/C16H21N/c1-5-11(3)13-7-8-16-14(10-13)9-12(4)15(6-2)17-16/h7-11H,5-6H2,1-4H3
InChIKeyGWEGWPZUFGOLRZ-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.62
Rot. Bonds3

About 6-butan-2-yl-2-ethyl-3-methylquinoline

6-butan-2-yl-2-ethyl-3-methylquinoline (PubChem CID 11160508) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 6-butan-2-yl-2-ethyl-3-methylquinoline.

Molecular Properties

Compound Name6-butan-2-yl-2-ethyl-3-methylquinoline
PubChem CID11160508
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name6-butan-2-yl-2-ethyl-3-methylquinoline
SMILESCCc1nc2ccc(C(C)CC)cc2cc1C
InChIInChI=1S/C16H21N/c1-5-11(3)13-7-8-16-14(10-13)9-12(4)15(6-2)17-16/h7-11H,5-6H2,1-4H3
InChIKeyGWEGWPZUFGOLRZ-UHFFFAOYSA-N
XLogP4.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-2-ethyl-3-methylquinoline?
The IUPAC name of 6-butan-2-yl-2-ethyl-3-methylquinoline (CID 11160508) is 6-butan-2-yl-2-ethyl-3-methylquinoline.
What is the SMILES notation for 6-butan-2-yl-2-ethyl-3-methylquinoline?
The canonical SMILES for 6-butan-2-yl-2-ethyl-3-methylquinoline is CCc1nc2ccc(C(C)CC)cc2cc1C.
What is the InChIKey of 6-butan-2-yl-2-ethyl-3-methylquinoline?
The InChIKey is GWEGWPZUFGOLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-5-11(3)13-7-8-16-14(10-13)9-12(4)15(6-2)17-16/h7-11H,5-6H2,1-4H3.
What are the key properties of 6-butan-2-yl-2-ethyl-3-methylquinoline?
6-butan-2-yl-2-ethyl-3-methylquinoline has a molecular weight of 227.35 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-2-ethyl-3-methylquinoline is sourced from PubChem (CID 11160508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).