(4-hydrazinylquinolin-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

C15H18N4O2 — CID 103358352

IUPAC(4-hydrazinylquinolin-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2cc(NN)c3ccccc3n2)C1
InChIInChI=1S/C15H18N4O2/c1-15(21)6-7-19(9-15)14(20)13-8-12(18-16)10-4-2-3-5-11(10)17-13/h2-5,8,21H,6-7,9,16H2,1H3,(H,17,18)
InChIKeyCQLKDOWKDMKQDG-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.12
Rot. Bonds2

About (4-hydrazinylquinolin-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

(4-hydrazinylquinolin-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (PubChem CID 103358352) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is (4-hydrazinylquinolin-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-hydrazinylquinolin-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
PubChem CID103358352
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name(4-hydrazinylquinolin-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2cc(NN)c3ccccc3n2)C1
InChIInChI=1S/C15H18N4O2/c1-15(21)6-7-19(9-15)14(20)13-8-12(18-16)10-4-2-3-5-11(10)17-13/h2-5,8,21H,6-7,9,16H2,1H3,(H,17,18)
InChIKeyCQLKDOWKDMKQDG-UHFFFAOYSA-N
XLogP1.12
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of (4-hydrazinylquinolin-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-hydrazinylquinolin-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (CID 103358352) is (4-hydrazinylquinolin-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-hydrazinylquinolin-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-hydrazinylquinolin-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is CC1(O)CCN(C(=O)c2cc(NN)c3ccccc3n2)C1.
What is the InChIKey of (4-hydrazinylquinolin-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The InChIKey is CQLKDOWKDMKQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-15(21)6-7-19(9-15)14(20)13-8-12(18-16)10-4-2-3-5-11(10)17-13/h2-5,8,21H,6-7,9,16H2,1H3,(H,17,18).
What are the key properties of (4-hydrazinylquinolin-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
(4-hydrazinylquinolin-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone has a molecular weight of 286.33 g/mol, XLogP of 1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydrazinylquinolin-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 103358352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).