[1-(6-aminoisoquinolin-1-yl)pyrrolidin-3-yl] carbamate

C14H16N4O2 — CID 175225949

IUPAC[1-(6-aminoisoquinolin-1-yl)pyrrolidin-3-yl] carbamate
SMILESNC(=O)OC1CCN(c2nccc3cc(N)ccc23)C1
InChIInChI=1S/C14H16N4O2/c15-10-1-2-12-9(7-10)3-5-17-13(12)18-6-4-11(8-18)20-14(16)19/h1-3,5,7,11H,4,6,8,15H2,(H2,16,19)
InChIKeyJZBGVLDZBGEVCP-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.49
Rot. Bonds2

About [1-(6-aminoisoquinolin-1-yl)pyrrolidin-3-yl] carbamate

[1-(6-aminoisoquinolin-1-yl)pyrrolidin-3-yl] carbamate (PubChem CID 175225949) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is [1-(6-aminoisoquinolin-1-yl)pyrrolidin-3-yl] carbamate.

Molecular Properties

Compound Name[1-(6-aminoisoquinolin-1-yl)pyrrolidin-3-yl] carbamate
PubChem CID175225949
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name[1-(6-aminoisoquinolin-1-yl)pyrrolidin-3-yl] carbamate
SMILESNC(=O)OC1CCN(c2nccc3cc(N)ccc23)C1
InChIInChI=1S/C14H16N4O2/c15-10-1-2-12-9(7-10)3-5-17-13(12)18-6-4-11(8-18)20-14(16)19/h1-3,5,7,11H,4,6,8,15H2,(H2,16,19)
InChIKeyJZBGVLDZBGEVCP-UHFFFAOYSA-N
XLogP1.49
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [1-(6-aminoisoquinolin-1-yl)pyrrolidin-3-yl] carbamate 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

tert-butyl N-[1-(6-aminoisoquinolin-1-yl)piperidin-4-yl]carbamate
CID 138048047
[1-(2-amino-4-pyridinyl)piperidin-4-yl] carbamate
CID 175111537
(1-furo[2,3-d]pyrimidin-4-ylpiperidin-4-yl) carbamate
CID 175570072
[1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyrrolidin-3-yl] carbamate
CID 175147723
1-(3-acetamidopyrrolidin-1-yl)-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 138679816
2-[1-(7-aminoquinolin-4-yl)piperidin-4-yl]acetamide
CID 103000800
[(3R)-1-(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)pyrrolidin-3-yl] carbamate
CID 175005783
(1-pyrimidin-4-ylpiperidin-4-yl) carbamate
CID 118050075
tert-butyl N-[(3R)-1-[6-[[(E)-but-2-enoyl]amino]isoquinolin-1-yl]pyrrolidin-3-yl]carbamate
CID 163288765
[(3R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl] carbamate
CID 155168175
tert-butyl 2-[(3S)-1-[6-amino-3-(1-methylpiperidin-4-yl)isoquinolin-1-yl]pyrrolidin-3-yl]acetate
CID 167632250
1-[(3R)-3-aminopyrrolidin-1-yl]-N-but-2-ynylisoquinolin-6-amine
CID 175226518

Frequently Asked Questions

What is the IUPAC name of [1-(6-aminoisoquinolin-1-yl)pyrrolidin-3-yl] carbamate?
The IUPAC name of [1-(6-aminoisoquinolin-1-yl)pyrrolidin-3-yl] carbamate (CID 175225949) is [1-(6-aminoisoquinolin-1-yl)pyrrolidin-3-yl] carbamate.
What is the SMILES notation for [1-(6-aminoisoquinolin-1-yl)pyrrolidin-3-yl] carbamate?
The canonical SMILES for [1-(6-aminoisoquinolin-1-yl)pyrrolidin-3-yl] carbamate is NC(=O)OC1CCN(c2nccc3cc(N)ccc23)C1.
What is the InChIKey of [1-(6-aminoisoquinolin-1-yl)pyrrolidin-3-yl] carbamate?
The InChIKey is JZBGVLDZBGEVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-10-1-2-12-9(7-10)3-5-17-13(12)18-6-4-11(8-18)20-14(16)19/h1-3,5,7,11H,4,6,8,15H2,(H2,16,19).
What are the key properties of [1-(6-aminoisoquinolin-1-yl)pyrrolidin-3-yl] carbamate?
[1-(6-aminoisoquinolin-1-yl)pyrrolidin-3-yl] carbamate has a molecular weight of 272.31 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-aminoisoquinolin-1-yl)pyrrolidin-3-yl] carbamate is sourced from PubChem (CID 175225949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).