2-(3-tert-butyl-5-methylphenyl)quinoline

C20H21N — CID 146511822

IUPAC2-(3-tert-butyl-5-methylphenyl)quinoline
SMILESCc1cc(-c2ccc3ccccc3n2)cc(C(C)(C)C)c1
InChIInChI=1S/C20H21N/c1-14-11-16(13-17(12-14)20(2,3)4)19-10-9-15-7-5-6-8-18(15)21-19/h5-13H,1-4H3
InChIKeyRMGKCHAEBLCNDD-UHFFFAOYSA-N
MW275.39 g/mol
LogP5.51
Rot. Bonds1

About 2-(3-tert-butyl-5-methylphenyl)quinoline

2-(3-tert-butyl-5-methylphenyl)quinoline (PubChem CID 146511822) has the molecular formula C20H21N and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(3-tert-butyl-5-methylphenyl)quinoline.

Molecular Properties

Compound Name2-(3-tert-butyl-5-methylphenyl)quinoline
PubChem CID146511822
Molecular FormulaC20H21N
Molecular Weight275.39 g/mol
Exact Mass275.17
IUPAC Name2-(3-tert-butyl-5-methylphenyl)quinoline
SMILESCc1cc(-c2ccc3ccccc3n2)cc(C(C)(C)C)c1
InChIInChI=1S/C20H21N/c1-14-11-16(13-17(12-14)20(2,3)4)19-10-9-15-7-5-6-8-18(15)21-19/h5-13H,1-4H3
InChIKeyRMGKCHAEBLCNDD-UHFFFAOYSA-N
XLogP5.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.39
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-5-methylphenyl)quinoline?
The IUPAC name of 2-(3-tert-butyl-5-methylphenyl)quinoline (CID 146511822) is 2-(3-tert-butyl-5-methylphenyl)quinoline.
What is the SMILES notation for 2-(3-tert-butyl-5-methylphenyl)quinoline?
The canonical SMILES for 2-(3-tert-butyl-5-methylphenyl)quinoline is Cc1cc(-c2ccc3ccccc3n2)cc(C(C)(C)C)c1.
What is the InChIKey of 2-(3-tert-butyl-5-methylphenyl)quinoline?
The InChIKey is RMGKCHAEBLCNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-14-11-16(13-17(12-14)20(2,3)4)19-10-9-15-7-5-6-8-18(15)21-19/h5-13H,1-4H3.
What are the key properties of 2-(3-tert-butyl-5-methylphenyl)quinoline?
2-(3-tert-butyl-5-methylphenyl)quinoline has a molecular weight of 275.39 g/mol, XLogP of 5.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-5-methylphenyl)quinoline is sourced from PubChem (CID 146511822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).