8-ethylisoquinoline;5-propan-2-ylisoquinoline

C23H24N2 — CID 169235936

IUPAC8-ethylisoquinoline;5-propan-2-ylisoquinoline
SMILESCC(C)c1cccc2cnccc12.CCc1cccc2ccncc12
InChIInChI=1S/C12H13N.C11H11N/c1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-2-9-4-3-5-10-6-7-12-8-11(9)10/h3-9H,1-2H3;3-8H,2H2,1H3
InChIKeyZSOHWOGFCJTVLD-UHFFFAOYSA-N
MW328.46 g/mol
LogP6.16
Rot. Bonds2

About 8-ethylisoquinoline;5-propan-2-ylisoquinoline

8-ethylisoquinoline;5-propan-2-ylisoquinoline (PubChem CID 169235936) has the molecular formula C23H24N2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 8-ethylisoquinoline;5-propan-2-ylisoquinoline.

Molecular Properties

Compound Name8-ethylisoquinoline;5-propan-2-ylisoquinoline
PubChem CID169235936
Molecular FormulaC23H24N2
Molecular Weight328.46 g/mol
Exact Mass328.19
IUPAC Name8-ethylisoquinoline;5-propan-2-ylisoquinoline
SMILESCC(C)c1cccc2cnccc12.CCc1cccc2ccncc12
InChIInChI=1S/C12H13N.C11H11N/c1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-2-9-4-3-5-10-6-7-12-8-11(9)10/h3-9H,1-2H3;3-8H,2H2,1H3
InChIKeyZSOHWOGFCJTVLD-UHFFFAOYSA-N
XLogP6.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-isoquinolin-5-ylethanol
CID 94831084
2-amino-2-isoquinolin-5-ylethanol
CID 55271452
(1S)-1-isoquinolin-5-ylpropan-1-amine
CID 55253697
1-isoquinolin-5-yl-2-methylbutan-1-amine
CID 63719434
lithium;di(propan-2-yl)azanide;ethyl 2-isoquinolin-5-ylpropanoate
CID 87935686
1-isoquinolin-5-yl-2-methoxyethanol
CID 62813668
(1-isoquinolin-5-yl-2-methylbutyl)hydrazine
CID 105219729
ethyl 2-methylpropanoate;isoquinoline
CID 158006464
4-isoquinolin-5-yl-N-methylpentan-2-amine
CID 64719637
1-isoquinolin-8-yl-2-methylpentan-1-ol
CID 103139250
1-isoquinolin-5-yl-2-phenylpropan-1-ol
CID 63899974
isoquinolin-8-ylmethanesulfonyl chloride
CID 84702854

Frequently Asked Questions

What is the IUPAC name of 8-ethylisoquinoline;5-propan-2-ylisoquinoline?
The IUPAC name of 8-ethylisoquinoline;5-propan-2-ylisoquinoline (CID 169235936) is 8-ethylisoquinoline;5-propan-2-ylisoquinoline.
What is the SMILES notation for 8-ethylisoquinoline;5-propan-2-ylisoquinoline?
The canonical SMILES for 8-ethylisoquinoline;5-propan-2-ylisoquinoline is CC(C)c1cccc2cnccc12.CCc1cccc2ccncc12.
What is the InChIKey of 8-ethylisoquinoline;5-propan-2-ylisoquinoline?
The InChIKey is ZSOHWOGFCJTVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C11H11N/c1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-2-9-4-3-5-10-6-7-12-8-11(9)10/h3-9H,1-2H3;3-8H,2H2,1H3.
What are the key properties of 8-ethylisoquinoline;5-propan-2-ylisoquinoline?
8-ethylisoquinoline;5-propan-2-ylisoquinoline has a molecular weight of 328.46 g/mol, XLogP of 6.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylisoquinoline;5-propan-2-ylisoquinoline is sourced from PubChem (CID 169235936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).