1-isoquinolin-8-ylpentan-3-one

C14H15NO — CID 103144159

IUPAC1-isoquinolin-8-ylpentan-3-one
SMILESCCC(=O)CCc1cccc2ccncc12
InChIInChI=1S/C14H15NO/c1-2-13(16)7-6-11-4-3-5-12-8-9-15-10-14(11)12/h3-5,8-10H,2,6-7H2,1H3
InChIKeyPLJZYAMZFMOUGB-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.15
Rot. Bonds4

About 1-isoquinolin-8-ylpentan-3-one

1-isoquinolin-8-ylpentan-3-one (PubChem CID 103144159) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-isoquinolin-8-ylpentan-3-one.

Molecular Properties

Compound Name1-isoquinolin-8-ylpentan-3-one
PubChem CID103144159
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name1-isoquinolin-8-ylpentan-3-one
SMILESCCC(=O)CCc1cccc2ccncc12
InChIInChI=1S/C14H15NO/c1-2-13(16)7-6-11-4-3-5-12-8-9-15-10-14(11)12/h3-5,8-10H,2,6-7H2,1H3
InChIKeyPLJZYAMZFMOUGB-UHFFFAOYSA-N
XLogP3.15
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-isoquinolin-8-ylbutan-2-one
CID 103144158
3-isoquinolin-5-ylpropanamide
CID 82578287
isoquinolin-8-ol
CID 135441711
4-isoquinolin-8-ylbutan-1-amine
CID 82577641
(3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone
CID 103143365
isoquinolin-8-ylmethanamine;dihydrochloride
CID 42614394
6-quinolin-8-ylhexan-3-one
CID 132571149
3-ethyl-1-isoquinolin-8-ylpent-2-en-1-one
CID 103458880
8-(3-chloro-4,4-dimethylpentyl)isoquinoline
CID 103140904
2-(3-isoquinolin-5-ylpropanoylamino)-3-methylbutanamide
CID 167796229
isoquinolin-8-ylmethanesulfonyl chloride
CID 84702854
8-ethylisoquinoline;5-propan-2-ylisoquinoline
CID 169235936

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-8-ylpentan-3-one?
The IUPAC name of 1-isoquinolin-8-ylpentan-3-one (CID 103144159) is 1-isoquinolin-8-ylpentan-3-one.
What is the SMILES notation for 1-isoquinolin-8-ylpentan-3-one?
The canonical SMILES for 1-isoquinolin-8-ylpentan-3-one is CCC(=O)CCc1cccc2ccncc12.
What is the InChIKey of 1-isoquinolin-8-ylpentan-3-one?
The InChIKey is PLJZYAMZFMOUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-2-13(16)7-6-11-4-3-5-12-8-9-15-10-14(11)12/h3-5,8-10H,2,6-7H2,1H3.
What are the key properties of 1-isoquinolin-8-ylpentan-3-one?
1-isoquinolin-8-ylpentan-3-one has a molecular weight of 213.28 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-8-ylpentan-3-one is sourced from PubChem (CID 103144159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).