5-prop-2-enoxy-2-propylisoquinolin-1-one

C15H17NO2 — CID 43985528

IUPAC5-prop-2-enoxy-2-propylisoquinolin-1-one
SMILESC=CCOc1cccc2c(=O)n(CCC)ccc12
InChIInChI=1S/C15H17NO2/c1-3-9-16-10-8-12-13(15(16)17)6-5-7-14(12)18-11-4-2/h4-8,10H,2-3,9,11H2,1H3
InChIKeyMQJDGECEROSMRM-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.98
Rot. Bonds5

About 5-prop-2-enoxy-2-propylisoquinolin-1-one

5-prop-2-enoxy-2-propylisoquinolin-1-one (PubChem CID 43985528) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-prop-2-enoxy-2-propylisoquinolin-1-one.

Molecular Properties

Compound Name5-prop-2-enoxy-2-propylisoquinolin-1-one
PubChem CID43985528
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name5-prop-2-enoxy-2-propylisoquinolin-1-one
SMILESC=CCOc1cccc2c(=O)n(CCC)ccc12
InChIInChI=1S/C15H17NO2/c1-3-9-16-10-8-12-13(15(16)17)6-5-7-14(12)18-11-4-2/h4-8,10H,2-3,9,11H2,1H3
InChIKeyMQJDGECEROSMRM-UHFFFAOYSA-N
XLogP2.98
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Ebalzotan
CID 9797080
3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoquinolinone
CID 9948349
1-((3-Benzyl-3-methyl-2,3-dihydro-1-benzofuran-6-yl)carbonyl)piperidine
CID 24766011
5-(2-oxo-2-phenylethoxy)isoquinolin-1(2H)-one
CID 25015515
5-methoxy-3-(4-methylphenyl)-2H-isoquinolin-1-one
CID 76284556
(R)-3-[Isopropyl(propyl)amino]-3,4-dihydro-2H-1-benzopyran-5-carboxamide
CID 10084845
2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-methoxyisoquinolin-1-one;hydrochloride
CID 22858714
5-[(4-Fluorophenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
CID 2151914
Morpholino(3-phenoxyphenyl)methanone
CID 6465484
4-[(4-ethoxyphenoxy)methyl]-N,N-diethylbenzamide
CID 892217
Ethyl 2-[(1-oxo-2-{[(2-phenylethyl)carbamoyl]methyl}-1,2-dihydroisoquinolin-5-yl)oxy]propanoate
CID 4396058
Ethyl 2-({2-[(benzylcarbamoyl)methyl]-1-oxo-1,2-dihydroisoquinolin-5-yl}oxy)propanoate
CID 5079010

Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enoxy-2-propylisoquinolin-1-one?
The IUPAC name of 5-prop-2-enoxy-2-propylisoquinolin-1-one (CID 43985528) is 5-prop-2-enoxy-2-propylisoquinolin-1-one.
What is the SMILES notation for 5-prop-2-enoxy-2-propylisoquinolin-1-one?
The canonical SMILES for 5-prop-2-enoxy-2-propylisoquinolin-1-one is C=CCOc1cccc2c(=O)n(CCC)ccc12.
What is the InChIKey of 5-prop-2-enoxy-2-propylisoquinolin-1-one?
The InChIKey is MQJDGECEROSMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-3-9-16-10-8-12-13(15(16)17)6-5-7-14(12)18-11-4-2/h4-8,10H,2-3,9,11H2,1H3.
What are the key properties of 5-prop-2-enoxy-2-propylisoquinolin-1-one?
5-prop-2-enoxy-2-propylisoquinolin-1-one has a molecular weight of 243.31 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enoxy-2-propylisoquinolin-1-one is sourced from PubChem (CID 43985528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).