(1-aminocyclopropyl)-isoquinolin-5-ylmethanone

C13H12N2O — CID 116576743

IUPAC(1-aminocyclopropyl)-isoquinolin-5-ylmethanone
SMILESNC1(C(=O)c2cccc3cnccc23)CC1
InChIInChI=1S/C13H12N2O/c14-13(5-6-13)12(16)11-3-1-2-9-8-15-7-4-10(9)11/h1-4,7-8H,5-6,14H2
InChIKeyZOZOSPPZWCJQBB-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.91
Rot. Bonds2

About (1-aminocyclopropyl)-isoquinolin-5-ylmethanone

(1-aminocyclopropyl)-isoquinolin-5-ylmethanone (PubChem CID 116576743) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is (1-aminocyclopropyl)-isoquinolin-5-ylmethanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-isoquinolin-5-ylmethanone
PubChem CID116576743
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name(1-aminocyclopropyl)-isoquinolin-5-ylmethanone
SMILESNC1(C(=O)c2cccc3cnccc23)CC1
InChIInChI=1S/C13H12N2O/c14-13(5-6-13)12(16)11-3-1-2-9-8-15-7-4-10(9)11/h1-4,7-8H,5-6,14H2
InChIKeyZOZOSPPZWCJQBB-UHFFFAOYSA-N
XLogP1.91
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminooxolan-3-yl)-isoquinolin-5-ylmethanone
CID 116579730
(1-ethoxycyclohexyl)-isoquinolin-5-ylmethanone
CID 116748456
(4-aminophenyl)-isoquinolin-5-ylmethanone
CID 116548861
2-isoquinolin-5-ylbenzamide
CID 39817654
[1-(aminomethyl)cycloheptyl]-isoquinolin-8-ylmethanone
CID 103133490
(2-bromo-3-methylphenyl)-isoquinolin-5-ylmethanone
CID 107984477
3-amino-N-isoquinolin-5-yloxolane-3-carboxamide
CID 64892312
(1-aminocyclopropyl)-(2-hydroxyphenyl)methanone
CID 105436807
2-amino-1-isoquinolin-5-yl-3-phenylpropan-1-one
CID 116552610
4-hydroxy-1-isoquinolin-5-ylbutan-1-one
CID 106677466
1-isoquinolin-5-yl-2-methylsulfanylethanone
CID 62813335
N,N-diethylisoquinoline-5-carboxamide
CID 86202974

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-isoquinolin-5-ylmethanone?
The IUPAC name of (1-aminocyclopropyl)-isoquinolin-5-ylmethanone (CID 116576743) is (1-aminocyclopropyl)-isoquinolin-5-ylmethanone.
What is the SMILES notation for (1-aminocyclopropyl)-isoquinolin-5-ylmethanone?
The canonical SMILES for (1-aminocyclopropyl)-isoquinolin-5-ylmethanone is NC1(C(=O)c2cccc3cnccc23)CC1.
What is the InChIKey of (1-aminocyclopropyl)-isoquinolin-5-ylmethanone?
The InChIKey is ZOZOSPPZWCJQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c14-13(5-6-13)12(16)11-3-1-2-9-8-15-7-4-10(9)11/h1-4,7-8H,5-6,14H2.
What are the key properties of (1-aminocyclopropyl)-isoquinolin-5-ylmethanone?
(1-aminocyclopropyl)-isoquinolin-5-ylmethanone has a molecular weight of 212.25 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-isoquinolin-5-ylmethanone is sourced from PubChem (CID 116576743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).