(1-hydrazinylisoquinolin-4-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C15H18N4O2 — CID 106773701

IUPAC(1-hydrazinylisoquinolin-4-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESNNc1ncc(C(=O)N2CCCC2CO)c2ccccc12
InChIInChI=1S/C15H18N4O2/c16-18-14-12-6-2-1-5-11(12)13(8-17-14)15(21)19-7-3-4-10(19)9-20/h1-2,5-6,8,10,20H,3-4,7,9,16H2,(H,17,18)
InChIKeyRZACDRWZPSSTFC-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.12
Rot. Bonds3

About (1-hydrazinylisoquinolin-4-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone

(1-hydrazinylisoquinolin-4-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 106773701) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is (1-hydrazinylisoquinolin-4-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-hydrazinylisoquinolin-4-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID106773701
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name(1-hydrazinylisoquinolin-4-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESNNc1ncc(C(=O)N2CCCC2CO)c2ccccc12
InChIInChI=1S/C15H18N4O2/c16-18-14-12-6-2-1-5-11(12)13(8-17-14)15(21)19-7-3-4-10(19)9-20/h1-2,5-6,8,10,20H,3-4,7,9,16H2,(H,17,18)
InChIKeyRZACDRWZPSSTFC-UHFFFAOYSA-N
XLogP1.12
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-4-ylmethanone
CID 97246459
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 14622137
2-azabicyclo[2.2.1]heptan-2-yl-(1-hydrazinylisoquinolin-4-yl)methanone
CID 106773654
(2,4-dimethylpyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone
CID 106774476
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 79028762
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-iodophenyl)methanone
CID 66261712
[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(methylamino)quinolin-4-yl]methanone
CID 62173431
[2-(dimethylamino)phenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 110473297
[2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone
CID 62173422
(2-chloroquinolin-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107877398
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 79029003
(2-anilinophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 54043507

Frequently Asked Questions

What is the IUPAC name of (1-hydrazinylisoquinolin-4-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-hydrazinylisoquinolin-4-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 106773701) is (1-hydrazinylisoquinolin-4-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-hydrazinylisoquinolin-4-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-hydrazinylisoquinolin-4-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone is NNc1ncc(C(=O)N2CCCC2CO)c2ccccc12.
What is the InChIKey of (1-hydrazinylisoquinolin-4-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is RZACDRWZPSSTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-18-14-12-6-2-1-5-11(12)13(8-17-14)15(21)19-7-3-4-10(19)9-20/h1-2,5-6,8,10,20H,3-4,7,9,16H2,(H,17,18).
What are the key properties of (1-hydrazinylisoquinolin-4-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(1-hydrazinylisoquinolin-4-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 286.33 g/mol, XLogP of 1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydrazinylisoquinolin-4-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 106773701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).