7,8a-dimethyl-8H-quinoline

C11H13N — CID 90990681

IUPAC7,8a-dimethyl-8H-quinoline
SMILESCC1=CC=C2C=CC=NC2(C)C1
InChIInChI=1S/C11H13N/c1-9-5-6-10-4-3-7-12-11(10,2)8-9/h3-7H,8H2,1-2H3
InChIKeyRPLYALVOHSPXDX-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.66
Rot. Bonds

About 7,8a-dimethyl-8H-quinoline

7,8a-dimethyl-8H-quinoline (PubChem CID 90990681) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 7,8a-dimethyl-8H-quinoline.

Molecular Properties

Compound Name7,8a-dimethyl-8H-quinoline
PubChem CID90990681
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name7,8a-dimethyl-8H-quinoline
SMILESCC1=CC=C2C=CC=NC2(C)C1
InChIInChI=1S/C11H13N/c1-9-5-6-10-4-3-7-12-11(10,2)8-9/h3-7H,8H2,1-2H3
InChIKeyRPLYALVOHSPXDX-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline
CID 134855711
4-Azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaene
CID 18187422
8-Methyl-4a,8a-dihydroquinoline
CID 20772220
(4aS,8aS)-3,4,4a,8a-tetrahydroquinoline
CID 53824787
3,4,4a,8a-Tetrahydroquinoline
CID 54092524
(8aS)-3,4,4a,8a-tetrahydroquinoline
CID 56628707
8-Pentyl-6,7,8,8a-tetrahydroquinoline
CID 57045796
(8aR)-3,4,4a,8a-tetrahydroquinoline
CID 57135717
7,7-dimethyl-8,8a-dihydro-6H-quinoline
CID 57147836
6,7,8,8a-Tetrahydroquinoline
CID 57281165
7,8-Dimethyl-4a,5,6,8a-tetrahydroquinoline
CID 57614234
10-Azatricyclo[6.2.1.01,6]undeca-2,4,7,9-tetraene
CID 66888262

Frequently Asked Questions

What is the IUPAC name of 7,8a-dimethyl-8H-quinoline?
The IUPAC name of 7,8a-dimethyl-8H-quinoline (CID 90990681) is 7,8a-dimethyl-8H-quinoline.
What is the SMILES notation for 7,8a-dimethyl-8H-quinoline?
The canonical SMILES for 7,8a-dimethyl-8H-quinoline is CC1=CC=C2C=CC=NC2(C)C1.
What is the InChIKey of 7,8a-dimethyl-8H-quinoline?
The InChIKey is RPLYALVOHSPXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-9-5-6-10-4-3-7-12-11(10,2)8-9/h3-7H,8H2,1-2H3.
What are the key properties of 7,8a-dimethyl-8H-quinoline?
7,8a-dimethyl-8H-quinoline has a molecular weight of 159.23 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8a-dimethyl-8H-quinoline is sourced from PubChem (CID 90990681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).