(3-aminooxolan-3-yl)-isoquinolin-5-ylmethanone

C14H14N2O2 — CID 116579730

IUPAC(3-aminooxolan-3-yl)-isoquinolin-5-ylmethanone
SMILESNC1(C(=O)c2cccc3cnccc23)CCOC1
InChIInChI=1S/C14H14N2O2/c15-14(5-7-18-9-14)13(17)12-3-1-2-10-8-16-6-4-11(10)12/h1-4,6,8H,5,7,9,15H2
InChIKeyMLEIXQPAMLXLDY-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.54
Rot. Bonds2

About (3-aminooxolan-3-yl)-isoquinolin-5-ylmethanone

(3-aminooxolan-3-yl)-isoquinolin-5-ylmethanone (PubChem CID 116579730) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (3-aminooxolan-3-yl)-isoquinolin-5-ylmethanone.

Molecular Properties

Compound Name(3-aminooxolan-3-yl)-isoquinolin-5-ylmethanone
PubChem CID116579730
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(3-aminooxolan-3-yl)-isoquinolin-5-ylmethanone
SMILESNC1(C(=O)c2cccc3cnccc23)CCOC1
InChIInChI=1S/C14H14N2O2/c15-14(5-7-18-9-14)13(17)12-3-1-2-10-8-16-6-4-11(10)12/h1-4,6,8H,5,7,9,15H2
InChIKeyMLEIXQPAMLXLDY-UHFFFAOYSA-N
XLogP1.54
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-aminooxolan-3-yl)-isoquinolin-5-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-aminocyclopropyl)-isoquinolin-5-ylmethanone
CID 116576743
3-amino-N-isoquinolin-5-yloxolane-3-carboxamide
CID 64892312
isoquinolin-8-yl-(4-methoxyoxan-4-yl)methanone
CID 103143395
(1-ethoxycyclohexyl)-isoquinolin-5-ylmethanone
CID 116748456
3-amino-N-(3-fluoro-4-pyridinyl)oxolane-3-carboxamide
CID 107594990
[4-(aminomethyl)oxan-4-yl]-isoquinolin-4-ylmethanone
CID 116603074
isoquinolin-5-yl-(2-methyloxolan-3-yl)methanone
CID 114970982
(2-amino-5-methyl-3-pyridinyl)-(3-aminooxolan-3-yl)methanone
CID 116579697
(3-aminooxolan-3-yl)-(4-phenylphenyl)methanone
CID 116579512
[1-(aminomethyl)cycloheptyl]-isoquinolin-8-ylmethanone
CID 103133490
1-isoquinolin-5-yl-2-methoxybutan-1-one
CID 116707361
(4-aminooxan-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114748063

Frequently Asked Questions

What is the IUPAC name of (3-aminooxolan-3-yl)-isoquinolin-5-ylmethanone?
The IUPAC name of (3-aminooxolan-3-yl)-isoquinolin-5-ylmethanone (CID 116579730) is (3-aminooxolan-3-yl)-isoquinolin-5-ylmethanone.
What is the SMILES notation for (3-aminooxolan-3-yl)-isoquinolin-5-ylmethanone?
The canonical SMILES for (3-aminooxolan-3-yl)-isoquinolin-5-ylmethanone is NC1(C(=O)c2cccc3cnccc23)CCOC1.
What is the InChIKey of (3-aminooxolan-3-yl)-isoquinolin-5-ylmethanone?
The InChIKey is MLEIXQPAMLXLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c15-14(5-7-18-9-14)13(17)12-3-1-2-10-8-16-6-4-11(10)12/h1-4,6,8H,5,7,9,15H2.
What are the key properties of (3-aminooxolan-3-yl)-isoquinolin-5-ylmethanone?
(3-aminooxolan-3-yl)-isoquinolin-5-ylmethanone has a molecular weight of 242.28 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminooxolan-3-yl)-isoquinolin-5-ylmethanone is sourced from PubChem (CID 116579730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).