2-ethyl-4-phenyl-1H-isoquinoline

C17H17N — CID 101006091

IUPAC2-ethyl-4-phenyl-1H-isoquinoline
SMILESCCN1C=C(c2ccccc2)c2ccccc2C1
InChIInChI=1S/C17H17N/c1-2-18-12-15-10-6-7-11-16(15)17(13-18)14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3
InChIKeyFRFSKZNFMXEYJD-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.91
Rot. Bonds2

About 2-ethyl-4-phenyl-1H-isoquinoline

2-ethyl-4-phenyl-1H-isoquinoline (PubChem CID 101006091) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-ethyl-4-phenyl-1H-isoquinoline.

Molecular Properties

Compound Name2-ethyl-4-phenyl-1H-isoquinoline
PubChem CID101006091
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name2-ethyl-4-phenyl-1H-isoquinoline
SMILESCCN1C=C(c2ccccc2)c2ccccc2C1
InChIInChI=1S/C17H17N/c1-2-18-12-15-10-6-7-11-16(15)17(13-18)14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3
InChIKeyFRFSKZNFMXEYJD-UHFFFAOYSA-N
XLogP3.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-4-phenyl-1H-isoquinoline
CID 101006090
4-(3-methoxyphenyl)-2-methyl-1H-isoquinoline
CID 146534951
3-bromo-1-methyl-2-phenyl-5H-imidazo[2,1-a]isoindol-1-ium
CID 21204212
4-chloro-2-ethyl-1H-phthalazine
CID 102581590
5-phenyl-8,9-dihydro-7H-benzo[7]annulene
CID 10857019
ethane;2-methyl-3H-isoindol-1-one;propane
CID 171626915
2-(2,2-dimethylbutyl)-1,3-dihydroisoindole
CID 167187659
3-ethyl-2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline
CID 23344298
2-(4-acetyl-1H-isoquinolin-2-yl)acetamide
CID 20802848
4-[3-ethyl-4-[(3R)-3-methylpentoxy]phenyl]-2-methyl-1H-isoquinoline
CID 166976559
CID 167712207
CID 167712207
N-[4-(1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 169006702

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-phenyl-1H-isoquinoline?
The IUPAC name of 2-ethyl-4-phenyl-1H-isoquinoline (CID 101006091) is 2-ethyl-4-phenyl-1H-isoquinoline.
What is the SMILES notation for 2-ethyl-4-phenyl-1H-isoquinoline?
The canonical SMILES for 2-ethyl-4-phenyl-1H-isoquinoline is CCN1C=C(c2ccccc2)c2ccccc2C1.
What is the InChIKey of 2-ethyl-4-phenyl-1H-isoquinoline?
The InChIKey is FRFSKZNFMXEYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-2-18-12-15-10-6-7-11-16(15)17(13-18)14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3.
What are the key properties of 2-ethyl-4-phenyl-1H-isoquinoline?
2-ethyl-4-phenyl-1H-isoquinoline has a molecular weight of 235.33 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-phenyl-1H-isoquinoline is sourced from PubChem (CID 101006091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).