2-methyl-5-(2-morpholin-4-ylethoxy)isoquinolin-1-one

C16H20N2O3 — CID 20645387

IUPAC2-methyl-5-(2-morpholin-4-ylethoxy)isoquinolin-1-one
SMILESCn1ccc2c(OCCN3CCOCC3)cccc2c1=O
InChIInChI=1S/C16H20N2O3/c1-17-6-5-13-14(16(17)19)3-2-4-15(13)21-12-9-18-7-10-20-11-8-18/h2-6H,7-12H2,1H3
InChIKeyBIMWHDIYADHLJN-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.25
Rot. Bonds4

About 2-methyl-5-(2-morpholin-4-ylethoxy)isoquinolin-1-one

2-methyl-5-(2-morpholin-4-ylethoxy)isoquinolin-1-one (PubChem CID 20645387) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-methyl-5-(2-morpholin-4-ylethoxy)isoquinolin-1-one.

Molecular Properties

Compound Name2-methyl-5-(2-morpholin-4-ylethoxy)isoquinolin-1-one
PubChem CID20645387
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-methyl-5-(2-morpholin-4-ylethoxy)isoquinolin-1-one
SMILESCn1ccc2c(OCCN3CCOCC3)cccc2c1=O
InChIInChI=1S/C16H20N2O3/c1-17-6-5-13-14(16(17)19)3-2-4-15(13)21-12-9-18-7-10-20-11-8-18/h2-6H,7-12H2,1H3
InChIKeyBIMWHDIYADHLJN-UHFFFAOYSA-N
XLogP1.25
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-5-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-one
CID 43985507
8-(2-morpholin-4-ylethoxy)-4-propan-2-yl-1,3-benzoxazin-2-one
CID 142239586
2-(2-methoxyethyl)-5-(2-piperidin-1-ylethoxy)isoquinolin-1-one
CID 43985596
4-[2-(4-chloronaphthalen-1-yl)oxyethyl]morpholine
CID 868523
1-(2-hydroxyethyl)-3-(2-morpholin-4-ylethoxy)pyridin-2-one
CID 82150749
1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione
CID 58262575
2-methyl-5-(2-oxopropoxy)isoquinolin-1-one
CID 43985489
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl] cyanate
CID 143015562
[3-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 43174640
4-ethoxy-5-(2-morpholin-4-ylethoxy)fluoren-9-one
CID 19594681
4-[2-(4-nitronaphthalen-1-yl)oxyethyl]morpholine
CID 11991204
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-morpholin-4-ylethoxy)isoquinolin-1-one?
The IUPAC name of 2-methyl-5-(2-morpholin-4-ylethoxy)isoquinolin-1-one (CID 20645387) is 2-methyl-5-(2-morpholin-4-ylethoxy)isoquinolin-1-one.
What is the SMILES notation for 2-methyl-5-(2-morpholin-4-ylethoxy)isoquinolin-1-one?
The canonical SMILES for 2-methyl-5-(2-morpholin-4-ylethoxy)isoquinolin-1-one is Cn1ccc2c(OCCN3CCOCC3)cccc2c1=O.
What is the InChIKey of 2-methyl-5-(2-morpholin-4-ylethoxy)isoquinolin-1-one?
The InChIKey is BIMWHDIYADHLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-17-6-5-13-14(16(17)19)3-2-4-15(13)21-12-9-18-7-10-20-11-8-18/h2-6H,7-12H2,1H3.
What are the key properties of 2-methyl-5-(2-morpholin-4-ylethoxy)isoquinolin-1-one?
2-methyl-5-(2-morpholin-4-ylethoxy)isoquinolin-1-one has a molecular weight of 288.35 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-morpholin-4-ylethoxy)isoquinolin-1-one is sourced from PubChem (CID 20645387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).