5,8a-dimethyl-4aH-quinoline

C11H13N — CID 155419679

IUPAC5,8a-dimethyl-4aH-quinoline
SMILESCC1=CC=CC2(C)N=CC=CC12
InChIInChI=1S/C11H13N/c1-9-5-3-7-11(2)10(9)6-4-8-12-11/h3-8,10H,1-2H3
InChIKeyJPGAEBVRYNDZPV-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.52
Rot. Bonds

About 5,8a-dimethyl-4aH-quinoline

5,8a-dimethyl-4aH-quinoline (PubChem CID 155419679) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 5,8a-dimethyl-4aH-quinoline.

Molecular Properties

Compound Name5,8a-dimethyl-4aH-quinoline
PubChem CID155419679
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name5,8a-dimethyl-4aH-quinoline
SMILESCC1=CC=CC2(C)N=CC=CC12
InChIInChI=1S/C11H13N/c1-9-5-3-7-11(2)10(9)6-4-8-12-11/h3-8,10H,1-2H3
InChIKeyJPGAEBVRYNDZPV-UHFFFAOYSA-N
XLogP2.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,8a-dimethyl-4aH-quinoline?
The IUPAC name of 5,8a-dimethyl-4aH-quinoline (CID 155419679) is 5,8a-dimethyl-4aH-quinoline.
What is the SMILES notation for 5,8a-dimethyl-4aH-quinoline?
The canonical SMILES for 5,8a-dimethyl-4aH-quinoline is CC1=CC=CC2(C)N=CC=CC12.
What is the InChIKey of 5,8a-dimethyl-4aH-quinoline?
The InChIKey is JPGAEBVRYNDZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-9-5-3-7-11(2)10(9)6-4-8-12-11/h3-8,10H,1-2H3.
What are the key properties of 5,8a-dimethyl-4aH-quinoline?
5,8a-dimethyl-4aH-quinoline has a molecular weight of 159.23 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8a-dimethyl-4aH-quinoline is sourced from PubChem (CID 155419679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).