isoquinolin-4-yl-(3-methyloxolan-2-yl)methanone

C15H15NO2 — CID 114971893

IUPACisoquinolin-4-yl-(3-methyloxolan-2-yl)methanone
SMILESCC1CCOC1C(=O)c1cncc2ccccc12
InChIInChI=1S/C15H15NO2/c1-10-6-7-18-15(10)14(17)13-9-16-8-11-4-2-3-5-12(11)13/h2-5,8-10,15H,6-7H2,1H3
InChIKeyIIVLWURPERYMEW-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.84
Rot. Bonds2

About isoquinolin-4-yl-(3-methyloxolan-2-yl)methanone

isoquinolin-4-yl-(3-methyloxolan-2-yl)methanone (PubChem CID 114971893) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is isoquinolin-4-yl-(3-methyloxolan-2-yl)methanone.

Molecular Properties

Compound Nameisoquinolin-4-yl-(3-methyloxolan-2-yl)methanone
PubChem CID114971893
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Nameisoquinolin-4-yl-(3-methyloxolan-2-yl)methanone
SMILESCC1CCOC1C(=O)c1cncc2ccccc12
InChIInChI=1S/C15H15NO2/c1-10-6-7-18-15(10)14(17)13-9-16-8-11-4-2-3-5-12(11)13/h2-5,8-10,15H,6-7H2,1H3
InChIKeyIIVLWURPERYMEW-UHFFFAOYSA-N
XLogP2.84
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Isoquinolin-4-YL)ethanone
CID 13227324
Ethyl isoquinoline-4-carboxylate
CID 12469513
Hydroxy phenanthridone
CID 68127618
1-(7-Fluoroisoquinolin-4-YL)ethan-1-one
CID 164920865
Ethyl 2-(6-fluoro-3-methylisoquinolin-5-yl)-2-oxoacetate
CID 167608394
Ethyl 2-(8-ethyl-6-fluoroisoquinolin-5-yl)-2-oxoacetate
CID 167661123
Butyl isoquinoline-4-carboxylate
CID 135017771
(3-Isoquinolin-4-yl-2-oxopropyl) acetate
CID 162417122
(5-Fluoro-3-pyridinyl)-(oxolan-2-yl)methanone
CID 65331131
(5-Fluoro-3-pyridinyl)-(2-methyloxolan-2-yl)methanone
CID 80166306
(5-Fluoro-3-pyridinyl)-(2-methyloxan-2-yl)methanone
CID 80690971
2-Cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707747

Frequently Asked Questions

What is the IUPAC name of isoquinolin-4-yl-(3-methyloxolan-2-yl)methanone?
The IUPAC name of isoquinolin-4-yl-(3-methyloxolan-2-yl)methanone (CID 114971893) is isoquinolin-4-yl-(3-methyloxolan-2-yl)methanone.
What is the SMILES notation for isoquinolin-4-yl-(3-methyloxolan-2-yl)methanone?
The canonical SMILES for isoquinolin-4-yl-(3-methyloxolan-2-yl)methanone is CC1CCOC1C(=O)c1cncc2ccccc12.
What is the InChIKey of isoquinolin-4-yl-(3-methyloxolan-2-yl)methanone?
The InChIKey is IIVLWURPERYMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-6-7-18-15(10)14(17)13-9-16-8-11-4-2-3-5-12(11)13/h2-5,8-10,15H,6-7H2,1H3.
What are the key properties of isoquinolin-4-yl-(3-methyloxolan-2-yl)methanone?
isoquinolin-4-yl-(3-methyloxolan-2-yl)methanone has a molecular weight of 241.29 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-4-yl-(3-methyloxolan-2-yl)methanone is sourced from PubChem (CID 114971893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).