3-ethyl-1-naphthalen-1-ylisoquinoline

C21H17N — CID 140508160

IUPAC3-ethyl-1-naphthalen-1-ylisoquinoline
SMILESCCc1cc2ccccc2c(-c2cccc3ccccc23)n1
InChIInChI=1S/C21H17N/c1-2-17-14-16-9-4-6-12-19(16)21(22-17)20-13-7-10-15-8-3-5-11-18(15)20/h3-14H,2H2,1H3
InChIKeyUKOQIFTXZHHENZ-UHFFFAOYSA-N
MW283.37 g/mol
LogP5.62
Rot. Bonds2

About 3-ethyl-1-naphthalen-1-ylisoquinoline

3-ethyl-1-naphthalen-1-ylisoquinoline (PubChem CID 140508160) has the molecular formula C21H17N and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-ethyl-1-naphthalen-1-ylisoquinoline.

Molecular Properties

Compound Name3-ethyl-1-naphthalen-1-ylisoquinoline
PubChem CID140508160
Molecular FormulaC21H17N
Molecular Weight283.37 g/mol
Exact Mass283.14
IUPAC Name3-ethyl-1-naphthalen-1-ylisoquinoline
SMILESCCc1cc2ccccc2c(-c2cccc3ccccc23)n1
InChIInChI=1S/C21H17N/c1-2-17-14-16-9-4-6-12-19(16)21(22-17)20-13-7-10-15-8-3-5-11-18(15)20/h3-14H,2H2,1H3
InChIKeyUKOQIFTXZHHENZ-UHFFFAOYSA-N
XLogP5.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.37
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1-(3-fluorophenyl)isoquinoline
CID 140508145
(3-ethylisoquinolin-1-yl)hydrazine
CID 153410703
4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine
CID 158107406
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
CID 175282704
CID 175282704
9-naphthalen-1-ylphenanthrene
CID 20606742
3-ethyl-1-pyrazol-1-ylisoquinoline
CID 58621090
2-ethyl-4-naphthalen-1-ylimidazole-1,5-diamine
CID 62483406
3-(2,2-difluoroethyl)-1-phenylisoquinoline
CID 58852769

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-naphthalen-1-ylisoquinoline?
The IUPAC name of 3-ethyl-1-naphthalen-1-ylisoquinoline (CID 140508160) is 3-ethyl-1-naphthalen-1-ylisoquinoline.
What is the SMILES notation for 3-ethyl-1-naphthalen-1-ylisoquinoline?
The canonical SMILES for 3-ethyl-1-naphthalen-1-ylisoquinoline is CCc1cc2ccccc2c(-c2cccc3ccccc23)n1.
What is the InChIKey of 3-ethyl-1-naphthalen-1-ylisoquinoline?
The InChIKey is UKOQIFTXZHHENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N/c1-2-17-14-16-9-4-6-12-19(16)21(22-17)20-13-7-10-15-8-3-5-11-18(15)20/h3-14H,2H2,1H3.
What are the key properties of 3-ethyl-1-naphthalen-1-ylisoquinoline?
3-ethyl-1-naphthalen-1-ylisoquinoline has a molecular weight of 283.37 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-naphthalen-1-ylisoquinoline is sourced from PubChem (CID 140508160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).