1-(4-ethylphenyl)isoquinoline

C17H15N — CID 58184660

IUPAC1-(4-ethylphenyl)isoquinoline
SMILESCCc1ccc(-c2nccc3ccccc23)cc1
InChIInChI=1S/C17H15N/c1-2-13-7-9-15(10-8-13)17-16-6-4-3-5-14(16)11-12-18-17/h3-12H,2H2,1H3
InChIKeyQDEJWLVVBHMPCZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP4.46
Rot. Bonds2

About 1-(4-ethylphenyl)isoquinoline

1-(4-ethylphenyl)isoquinoline (PubChem CID 58184660) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(4-ethylphenyl)isoquinoline.

Molecular Properties

Compound Name1-(4-ethylphenyl)isoquinoline
PubChem CID58184660
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Name1-(4-ethylphenyl)isoquinoline
SMILESCCc1ccc(-c2nccc3ccccc23)cc1
InChIInChI=1S/C17H15N/c1-2-13-7-9-15(10-8-13)17-16-6-4-3-5-14(16)11-12-18-17/h3-12H,2H2,1H3
InChIKeyQDEJWLVVBHMPCZ-UHFFFAOYSA-N
XLogP4.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

carbanide;iridium;1-phenylisoquinoline
CID 166502152
1-[(4-ethylphenyl)methyl]isoquinoline
CID 59715703
1-(4-pyridin-2-ylphenyl)isoquinoline
CID 58947156
1-(4-butylbenzene-6-id-1-yl)isoquinoline;iridium
CID 58986664
1-[4-(2-perylen-3-ylethyl)phenyl]isoquinoline
CID 177474927
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]isoquinoline
CID 58322582
1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]isoquinoline
CID 90401606
1-[4-[3-(4-isoquinolin-1-ylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]isoquinoline
CID 163990353
1-[4-(4-fluoranthen-3-ylphenyl)phenyl]isoquinoline
CID 144968144
bis(iridium);tris(1-phenylisoquinoline);tris(2-phenylpyridine)
CID 159285657
ethane;1-(4-ethylphenyl)naphthalene
CID 143262541
(4-isoquinolin-1-ylphenyl)-phenoxy-phenylphosphane
CID 140617547

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)isoquinoline?
The IUPAC name of 1-(4-ethylphenyl)isoquinoline (CID 58184660) is 1-(4-ethylphenyl)isoquinoline.
What is the SMILES notation for 1-(4-ethylphenyl)isoquinoline?
The canonical SMILES for 1-(4-ethylphenyl)isoquinoline is CCc1ccc(-c2nccc3ccccc23)cc1.
What is the InChIKey of 1-(4-ethylphenyl)isoquinoline?
The InChIKey is QDEJWLVVBHMPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N/c1-2-13-7-9-15(10-8-13)17-16-6-4-3-5-14(16)11-12-18-17/h3-12H,2H2,1H3.
What are the key properties of 1-(4-ethylphenyl)isoquinoline?
1-(4-ethylphenyl)isoquinoline has a molecular weight of 233.31 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)isoquinoline is sourced from PubChem (CID 58184660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).