(3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone

C17H14N2O — CID 103143365

IUPAC(3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone
SMILESCCc1cnccc1C(=O)c1cccc2ccncc12
InChIInChI=1S/C17H14N2O/c1-2-12-10-18-9-7-14(12)17(20)15-5-3-4-13-6-8-19-11-16(13)15/h3-11H,2H2,1H3
InChIKeyAITGQYZZKXPSOF-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.42
Rot. Bonds3

About (3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone

(3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone (PubChem CID 103143365) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is (3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone.

Molecular Properties

Compound Name(3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone
PubChem CID103143365
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name(3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone
SMILESCCc1cnccc1C(=O)c1cccc2ccncc12
InChIInChI=1S/C17H14N2O/c1-2-12-10-18-9-7-14(12)17(20)15-5-3-4-13-6-8-19-11-16(13)15/h3-11H,2H2,1H3
InChIKeyAITGQYZZKXPSOF-UHFFFAOYSA-N
XLogP3.42
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

isoquinoline-8-carboxylate
CID 86306452
(2-amino-3-methoxyphenyl)-isoquinolin-8-ylmethanone
CID 107469085
(5-bromo-2-methylphenyl)-isoquinolin-8-ylmethanone
CID 103133974
isoquinolin-8-yl(pyrimidin-4-yl)methanone
CID 103143293
isoquinolin-8-yl-(4-methylsulfanylphenyl)methanone
CID 103134158
[4-(aminomethyl)phenyl]-isoquinolin-8-ylmethanone
CID 103132930
2-tert-butylsulfanyl-1-isoquinolin-8-ylethanone
CID 103143300
isoquinolin-8-yl(thiophen-2-yl)methanone
CID 103133963
3-ethyl-1-isoquinolin-8-ylpent-2-en-1-one
CID 103458880
(5-bromo-2-chlorophenyl)-isoquinolin-8-ylmethanone
CID 103133962
(2-amino-5-methoxyphenyl)-isoquinolin-8-ylmethanone
CID 103133497
1-(3-ethyl-4-pyridinyl)ethanone
CID 14863277

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone?
The IUPAC name of (3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone (CID 103143365) is (3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone.
What is the SMILES notation for (3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone?
The canonical SMILES for (3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone is CCc1cnccc1C(=O)c1cccc2ccncc12.
What is the InChIKey of (3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone?
The InChIKey is AITGQYZZKXPSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-2-12-10-18-9-7-14(12)17(20)15-5-3-4-13-6-8-19-11-16(13)15/h3-11H,2H2,1H3.
What are the key properties of (3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone?
(3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone has a molecular weight of 262.31 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone is sourced from PubChem (CID 103143365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).