8-tert-butyl-3-methyl-2-phenylquinoline

C20H21N — CID 11011231

IUPAC8-tert-butyl-3-methyl-2-phenylquinoline
SMILESCc1cc2cccc(C(C)(C)C)c2nc1-c1ccccc1
InChIInChI=1S/C20H21N/c1-14-13-16-11-8-12-17(20(2,3)4)19(16)21-18(14)15-9-6-5-7-10-15/h5-13H,1-4H3
InChIKeyVXUSZFYKKMWDRX-UHFFFAOYSA-N
MW275.39 g/mol
LogP5.51
Rot. Bonds1

About 8-tert-butyl-3-methyl-2-phenylquinoline

8-tert-butyl-3-methyl-2-phenylquinoline (PubChem CID 11011231) has the molecular formula C20H21N and a molecular weight of 275.39 g/mol. Its IUPAC name is 8-tert-butyl-3-methyl-2-phenylquinoline.

Molecular Properties

Compound Name8-tert-butyl-3-methyl-2-phenylquinoline
PubChem CID11011231
Molecular FormulaC20H21N
Molecular Weight275.39 g/mol
Exact Mass275.17
IUPAC Name8-tert-butyl-3-methyl-2-phenylquinoline
SMILESCc1cc2cccc(C(C)(C)C)c2nc1-c1ccccc1
InChIInChI=1S/C20H21N/c1-14-13-16-11-8-12-17(20(2,3)4)19(16)21-18(14)15-9-6-5-7-10-15/h5-13H,1-4H3
InChIKeyVXUSZFYKKMWDRX-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 8-tert-butyl-3-methyl-2-phenylquinoline?
The IUPAC name of 8-tert-butyl-3-methyl-2-phenylquinoline (CID 11011231) is 8-tert-butyl-3-methyl-2-phenylquinoline.
What is the SMILES notation for 8-tert-butyl-3-methyl-2-phenylquinoline?
The canonical SMILES for 8-tert-butyl-3-methyl-2-phenylquinoline is Cc1cc2cccc(C(C)(C)C)c2nc1-c1ccccc1.
What is the InChIKey of 8-tert-butyl-3-methyl-2-phenylquinoline?
The InChIKey is VXUSZFYKKMWDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-14-13-16-11-8-12-17(20(2,3)4)19(16)21-18(14)15-9-6-5-7-10-15/h5-13H,1-4H3.
What are the key properties of 8-tert-butyl-3-methyl-2-phenylquinoline?
8-tert-butyl-3-methyl-2-phenylquinoline 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 8-tert-butyl-3-methyl-2-phenylquinoline is sourced from PubChem (CID 11011231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).