(3,4-dihydroxypyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone

C14H16N4O3 — CID 106774564

IUPAC(3,4-dihydroxypyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone
SMILESNNc1ncc(C(=O)N2CC(O)C(O)C2)c2ccccc12
InChIInChI=1S/C14H16N4O3/c15-17-13-9-4-2-1-3-8(9)10(5-16-13)14(21)18-6-11(19)12(20)7-18/h1-5,11-12,19-20H,6-7,15H2,(H,16,17)
InChIKeyUYNIGLRJQTZTQX-UHFFFAOYSA-N
MW288.31 g/mol
LogP-0.30
Rot. Bonds2

About (3,4-dihydroxypyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone

(3,4-dihydroxypyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone (PubChem CID 106774564) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is (3,4-dihydroxypyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone.

Molecular Properties

Compound Name(3,4-dihydroxypyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone
PubChem CID106774564
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name(3,4-dihydroxypyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone
SMILESNNc1ncc(C(=O)N2CC(O)C(O)C2)c2ccccc12
InChIInChI=1S/C14H16N4O3/c15-17-13-9-4-2-1-3-8(9)10(5-16-13)14(21)18-6-11(19)12(20)7-18/h1-5,11-12,19-20H,6-7,15H2,(H,16,17)
InChIKeyUYNIGLRJQTZTQX-UHFFFAOYSA-N
XLogP-0.30
TPSA111.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone?
The IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone (CID 106774564) is (3,4-dihydroxypyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone.
What is the SMILES notation for (3,4-dihydroxypyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone?
The canonical SMILES for (3,4-dihydroxypyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone is NNc1ncc(C(=O)N2CC(O)C(O)C2)c2ccccc12.
What is the InChIKey of (3,4-dihydroxypyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone?
The InChIKey is UYNIGLRJQTZTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c15-17-13-9-4-2-1-3-8(9)10(5-16-13)14(21)18-6-11(19)12(20)7-18/h1-5,11-12,19-20H,6-7,15H2,(H,16,17).
What are the key properties of (3,4-dihydroxypyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone?
(3,4-dihydroxypyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone has a molecular weight of 288.31 g/mol, XLogP of -0.30, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxypyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone is sourced from PubChem (CID 106774564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).