5-ethyl-6-propan-2-ylquinoline

C14H17N — CID 166938108

IUPAC5-ethyl-6-propan-2-ylquinoline
SMILESCCc1c(C(C)C)ccc2ncccc12
InChIInChI=1S/C14H17N/c1-4-11-12(10(2)3)7-8-14-13(11)6-5-9-15-14/h5-10H,4H2,1-3H3
InChIKeyAAIULDDSTPTXBK-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.92
Rot. Bonds2

About 5-ethyl-6-propan-2-ylquinoline

5-ethyl-6-propan-2-ylquinoline (PubChem CID 166938108) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 5-ethyl-6-propan-2-ylquinoline.

Molecular Properties

Compound Name5-ethyl-6-propan-2-ylquinoline
PubChem CID166938108
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name5-ethyl-6-propan-2-ylquinoline
SMILESCCc1c(C(C)C)ccc2ncccc12
InChIInChI=1S/C14H17N/c1-4-11-12(10(2)3)7-8-14-13(11)6-5-9-15-14/h5-10H,4H2,1-3H3
InChIKeyAAIULDDSTPTXBK-UHFFFAOYSA-N
XLogP3.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-propan-2-ylquinoline?
The IUPAC name of 5-ethyl-6-propan-2-ylquinoline (CID 166938108) is 5-ethyl-6-propan-2-ylquinoline.
What is the SMILES notation for 5-ethyl-6-propan-2-ylquinoline?
The canonical SMILES for 5-ethyl-6-propan-2-ylquinoline is CCc1c(C(C)C)ccc2ncccc12.
What is the InChIKey of 5-ethyl-6-propan-2-ylquinoline?
The InChIKey is AAIULDDSTPTXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-4-11-12(10(2)3)7-8-14-13(11)6-5-9-15-14/h5-10H,4H2,1-3H3.
What are the key properties of 5-ethyl-6-propan-2-ylquinoline?
5-ethyl-6-propan-2-ylquinoline has a molecular weight of 199.30 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-propan-2-ylquinoline is sourced from PubChem (CID 166938108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).