8-bromo-2-ethoxy-4-propan-2-ylquinoline

C14H16BrNO — CID 58755567

IUPAC8-bromo-2-ethoxy-4-propan-2-ylquinoline
SMILESCCOc1cc(C(C)C)c2cccc(Br)c2n1
InChIInChI=1S/C14H16BrNO/c1-4-17-13-8-11(9(2)3)10-6-5-7-12(15)14(10)16-13/h5-9H,4H2,1-3H3
InChIKeySCTXPMYIFOCKAL-UHFFFAOYSA-N
MW294.19 g/mol
LogP4.52
Rot. Bonds3

About 8-bromo-2-ethoxy-4-propan-2-ylquinoline

8-bromo-2-ethoxy-4-propan-2-ylquinoline (PubChem CID 58755567) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 8-bromo-2-ethoxy-4-propan-2-ylquinoline.

Molecular Properties

Compound Name8-bromo-2-ethoxy-4-propan-2-ylquinoline
PubChem CID58755567
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name8-bromo-2-ethoxy-4-propan-2-ylquinoline
SMILESCCOc1cc(C(C)C)c2cccc(Br)c2n1
InChIInChI=1S/C14H16BrNO/c1-4-17-13-8-11(9(2)3)10-6-5-7-12(15)14(10)16-13/h5-9H,4H2,1-3H3
InChIKeySCTXPMYIFOCKAL-UHFFFAOYSA-N
XLogP4.52
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-ethoxy-4-propan-2-ylquinoline?
The IUPAC name of 8-bromo-2-ethoxy-4-propan-2-ylquinoline (CID 58755567) is 8-bromo-2-ethoxy-4-propan-2-ylquinoline.
What is the SMILES notation for 8-bromo-2-ethoxy-4-propan-2-ylquinoline?
The canonical SMILES for 8-bromo-2-ethoxy-4-propan-2-ylquinoline is CCOc1cc(C(C)C)c2cccc(Br)c2n1.
What is the InChIKey of 8-bromo-2-ethoxy-4-propan-2-ylquinoline?
The InChIKey is SCTXPMYIFOCKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-4-17-13-8-11(9(2)3)10-6-5-7-12(15)14(10)16-13/h5-9H,4H2,1-3H3.
What are the key properties of 8-bromo-2-ethoxy-4-propan-2-ylquinoline?
8-bromo-2-ethoxy-4-propan-2-ylquinoline has a molecular weight of 294.19 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-ethoxy-4-propan-2-ylquinoline is sourced from PubChem (CID 58755567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).