5,7-dimethyl-4a,5-dihydroquinoline

C11H13N — CID 139566513

IUPAC5,7-dimethyl-4a,5-dihydroquinoline
SMILESCC1=CC(C)C2C=CC=NC2=C1
InChIInChI=1S/C11H13N/c1-8-6-9(2)10-4-3-5-12-11(10)7-8/h3-7,9-10H,1-2H3
InChIKeyGLBSUUGIZALQGJ-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.72
Rot. Bonds

About 5,7-dimethyl-4a,5-dihydroquinoline

5,7-dimethyl-4a,5-dihydroquinoline (PubChem CID 139566513) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 5,7-dimethyl-4a,5-dihydroquinoline.

Molecular Properties

Compound Name5,7-dimethyl-4a,5-dihydroquinoline
PubChem CID139566513
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name5,7-dimethyl-4a,5-dihydroquinoline
SMILESCC1=CC(C)C2C=CC=NC2=C1
InChIInChI=1S/C11H13N/c1-8-6-9(2)10-4-3-5-12-11(10)7-8/h3-7,9-10H,1-2H3
InChIKeyGLBSUUGIZALQGJ-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-4a,5-dihydroquinoline?
The IUPAC name of 5,7-dimethyl-4a,5-dihydroquinoline (CID 139566513) is 5,7-dimethyl-4a,5-dihydroquinoline.
What is the SMILES notation for 5,7-dimethyl-4a,5-dihydroquinoline?
The canonical SMILES for 5,7-dimethyl-4a,5-dihydroquinoline is CC1=CC(C)C2C=CC=NC2=C1.
What is the InChIKey of 5,7-dimethyl-4a,5-dihydroquinoline?
The InChIKey is GLBSUUGIZALQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-8-6-9(2)10-4-3-5-12-11(10)7-8/h3-7,9-10H,1-2H3.
What are the key properties of 5,7-dimethyl-4a,5-dihydroquinoline?
5,7-dimethyl-4a,5-dihydroquinoline has a molecular weight of 159.23 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-4a,5-dihydroquinoline is sourced from PubChem (CID 139566513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).