2,8-dihydroquinoline

C9H9N — CID 53423727

IUPAC2,8-dihydroquinoline
SMILESC1=CCC2=NCC=CC2=C1
InChIInChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-5H,6-7H2
InChIKeyRGVMFHNYYFOGLE-UHFFFAOYSA-N
MW131.18 g/mol
LogP1.88
Rot. Bonds

About 2,8-dihydroquinoline

2,8-dihydroquinoline (PubChem CID 53423727) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 2,8-dihydroquinoline.

Molecular Properties

Compound Name2,8-dihydroquinoline
PubChem CID53423727
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name2,8-dihydroquinoline
SMILESC1=CCC2=NCC=CC2=C1
InChIInChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-5H,6-7H2
InChIKeyRGVMFHNYYFOGLE-UHFFFAOYSA-N
XLogP1.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,8-dihydroquinoline?
The IUPAC name of 2,8-dihydroquinoline (CID 53423727) is 2,8-dihydroquinoline.
What is the SMILES notation for 2,8-dihydroquinoline?
The canonical SMILES for 2,8-dihydroquinoline is C1=CCC2=NCC=CC2=C1.
What is the InChIKey of 2,8-dihydroquinoline?
The InChIKey is RGVMFHNYYFOGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-5H,6-7H2.
What are the key properties of 2,8-dihydroquinoline?
2,8-dihydroquinoline has a molecular weight of 131.18 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dihydroquinoline is sourced from PubChem (CID 53423727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).