2-(3,4-dimethylphenyl)-8,8a-dihydroquinoline

C17H17N — CID 134550731

IUPAC2-(3,4-dimethylphenyl)-8,8a-dihydroquinoline
SMILESCc1ccc(C2=NC3CC=CC=C3C=C2)cc1C
InChIInChI=1S/C17H17N/c1-12-7-8-15(11-13(12)2)17-10-9-14-5-3-4-6-16(14)18-17/h3-5,7-11,16H,6H2,1-2H3
InChIKeyACFYLYQGCYTODL-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.92
Rot. Bonds1

About 2-(3,4-dimethylphenyl)-8,8a-dihydroquinoline

2-(3,4-dimethylphenyl)-8,8a-dihydroquinoline (PubChem CID 134550731) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-8,8a-dihydroquinoline.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-8,8a-dihydroquinoline
PubChem CID134550731
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name2-(3,4-dimethylphenyl)-8,8a-dihydroquinoline
SMILESCc1ccc(C2=NC3CC=CC=C3C=C2)cc1C
InChIInChI=1S/C17H17N/c1-12-7-8-15(11-13(12)2)17-10-9-14-5-3-4-6-16(14)18-17/h3-5,7-11,16H,6H2,1-2H3
InChIKeyACFYLYQGCYTODL-UHFFFAOYSA-N
XLogP3.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-8,8a-dihydroquinoline?
The IUPAC name of 2-(3,4-dimethylphenyl)-8,8a-dihydroquinoline (CID 134550731) is 2-(3,4-dimethylphenyl)-8,8a-dihydroquinoline.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-8,8a-dihydroquinoline?
The canonical SMILES for 2-(3,4-dimethylphenyl)-8,8a-dihydroquinoline is Cc1ccc(C2=NC3CC=CC=C3C=C2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-8,8a-dihydroquinoline?
The InChIKey is ACFYLYQGCYTODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-12-7-8-15(11-13(12)2)17-10-9-14-5-3-4-6-16(14)18-17/h3-5,7-11,16H,6H2,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)-8,8a-dihydroquinoline?
2-(3,4-dimethylphenyl)-8,8a-dihydroquinoline has a molecular weight of 235.33 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-8,8a-dihydroquinoline is sourced from PubChem (CID 134550731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).