2-(3-butan-2-yl-5-ethylphenyl)quinoline

C21H23N — CID 153463437

IUPAC2-(3-butan-2-yl-5-ethylphenyl)quinoline
SMILESCCc1cc(-c2ccc3ccccc3n2)cc(C(C)CC)c1
InChIInChI=1S/C21H23N/c1-4-15(3)18-12-16(5-2)13-19(14-18)21-11-10-17-8-6-7-9-20(17)22-21/h6-15H,4-5H2,1-3H3
InChIKeyMSRQMNYPOJMCCQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP5.98
Rot. Bonds4

About 2-(3-butan-2-yl-5-ethylphenyl)quinoline

2-(3-butan-2-yl-5-ethylphenyl)quinoline (PubChem CID 153463437) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(3-butan-2-yl-5-ethylphenyl)quinoline.

Molecular Properties

Compound Name2-(3-butan-2-yl-5-ethylphenyl)quinoline
PubChem CID153463437
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name2-(3-butan-2-yl-5-ethylphenyl)quinoline
SMILESCCc1cc(-c2ccc3ccccc3n2)cc(C(C)CC)c1
InChIInChI=1S/C21H23N/c1-4-15(3)18-12-16(5-2)13-19(14-18)21-11-10-17-8-6-7-9-20(17)22-21/h6-15H,4-5H2,1-3H3
InChIKeyMSRQMNYPOJMCCQ-UHFFFAOYSA-N
XLogP5.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-tert-butyl-5-ethylphenyl)quinoline
CID 153463392
N-methyl-1-(3-quinolin-2-ylphenyl)propan-1-amine
CID 116645115
2-(4-propylphenyl)quinoline
CID 69251676
N-[(3-quinolin-2-ylphenyl)methyl]propan-2-amine
CID 116645094
1-butan-2-yl-3-ethylbenzene
CID 528681
2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
CID 176883836
5-(3-butan-2-yl-5-methylphenyl)furo[3,2-b]pyridine
CID 153463361
5-(3-butan-2-yl-5-methylphenyl)selenopheno[3,2-b]pyridine
CID 153463540
iridium;tris(2-phenylquinoline)
CID 122129463
dichloroplatinum;2-phenylquinoline
CID 175341425
N-methyl-1-(4-quinolin-2-ylphenyl)methanamine
CID 116645004
2-(4-hexylphenyl)quinoline;iridium(3+)
CID 161040240

Frequently Asked Questions

What is the IUPAC name of 2-(3-butan-2-yl-5-ethylphenyl)quinoline?
The IUPAC name of 2-(3-butan-2-yl-5-ethylphenyl)quinoline (CID 153463437) is 2-(3-butan-2-yl-5-ethylphenyl)quinoline.
What is the SMILES notation for 2-(3-butan-2-yl-5-ethylphenyl)quinoline?
The canonical SMILES for 2-(3-butan-2-yl-5-ethylphenyl)quinoline is CCc1cc(-c2ccc3ccccc3n2)cc(C(C)CC)c1.
What is the InChIKey of 2-(3-butan-2-yl-5-ethylphenyl)quinoline?
The InChIKey is MSRQMNYPOJMCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N/c1-4-15(3)18-12-16(5-2)13-19(14-18)21-11-10-17-8-6-7-9-20(17)22-21/h6-15H,4-5H2,1-3H3.
What are the key properties of 2-(3-butan-2-yl-5-ethylphenyl)quinoline?
2-(3-butan-2-yl-5-ethylphenyl)quinoline has a molecular weight of 289.42 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butan-2-yl-5-ethylphenyl)quinoline is sourced from PubChem (CID 153463437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).