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

C21H23N — CID 153463392

IUPAC2-(3-tert-butyl-5-ethylphenyl)quinoline
SMILESCCc1cc(-c2ccc3ccccc3n2)cc(C(C)(C)C)c1
InChIInChI=1S/C21H23N/c1-5-15-12-17(14-18(13-15)21(2,3)4)20-11-10-16-8-6-7-9-19(16)22-20/h6-14H,5H2,1-4H3
InChIKeyILKNWZPJJMVDJZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP5.76
Rot. Bonds2

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

2-(3-tert-butyl-5-ethylphenyl)quinoline (PubChem CID 153463392) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(3-tert-butyl-5-ethylphenyl)quinoline.

Molecular Properties

Compound Name2-(3-tert-butyl-5-ethylphenyl)quinoline
PubChem CID153463392
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name2-(3-tert-butyl-5-ethylphenyl)quinoline
SMILESCCc1cc(-c2ccc3ccccc3n2)cc(C(C)(C)C)c1
InChIInChI=1S/C21H23N/c1-5-15-12-17(14-18(13-15)21(2,3)4)20-11-10-16-8-6-7-9-19(16)22-20/h6-14H,5H2,1-4H3
InChIKeyILKNWZPJJMVDJZ-UHFFFAOYSA-N
XLogP5.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-tert-butyl-5-methylphenyl)quinoline
CID 146511822
2-(3-butan-2-yl-5-ethylphenyl)quinoline
CID 153463437
2-(4-propylphenyl)quinoline
CID 69251676
iridium;bis(2-phenylquinoline);2,2,6,6-tetramethylheptane
CID 157434360
2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
CID 176883836
2,6-bis(3,5-ditert-butylphenyl)pyridine
CID 102450802
iridium;tris(2-phenylquinoline)
CID 122129463
2-[4-[7-tert-butyl-3-(4-pyridin-2-ylphenyl)pyren-1-yl]phenyl]quinoline
CID 58029011
2-[3-(3-tert-butylphenyl)-4-[3-[2-(3-tert-butylphenyl)-4-quinolin-2-ylphenyl]-2-(3,5-dimethylphenyl)phenyl]phenyl]quinoline
CID 153422771
N-[(3-quinolin-2-ylphenyl)methyl]propan-2-amine
CID 116645094
dichloroplatinum;2-phenylquinoline
CID 175341425
2-(3-tert-butyl-5-methylphenyl)-4-(2,2-dimethylpropyl)quinoline
CID 167260846

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-5-ethylphenyl)quinoline?
The IUPAC name of 2-(3-tert-butyl-5-ethylphenyl)quinoline (CID 153463392) is 2-(3-tert-butyl-5-ethylphenyl)quinoline.
What is the SMILES notation for 2-(3-tert-butyl-5-ethylphenyl)quinoline?
The canonical SMILES for 2-(3-tert-butyl-5-ethylphenyl)quinoline is CCc1cc(-c2ccc3ccccc3n2)cc(C(C)(C)C)c1.
What is the InChIKey of 2-(3-tert-butyl-5-ethylphenyl)quinoline?
The InChIKey is ILKNWZPJJMVDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N/c1-5-15-12-17(14-18(13-15)21(2,3)4)20-11-10-16-8-6-7-9-19(16)22-20/h6-14H,5H2,1-4H3.
What are the key properties of 2-(3-tert-butyl-5-ethylphenyl)quinoline?
2-(3-tert-butyl-5-ethylphenyl)quinoline has a molecular weight of 289.42 g/mol, XLogP of 5.76, 2 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-ethylphenyl)quinoline is sourced from PubChem (CID 153463392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).