2-[(2-hydrazinylquinolin-3-yl)methyl-methylamino]-N-methylacetamide

C14H19N5O — CID 62241968

IUPAC2-[(2-hydrazinylquinolin-3-yl)methyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)Cc1cc2ccccc2nc1NN
InChIInChI=1S/C14H19N5O/c1-16-13(20)9-19(2)8-11-7-10-5-3-4-6-12(10)17-14(11)18-15/h3-7H,8-9,15H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyNYNQEYRHTLQKDY-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.70
Rot. Bonds5

About 2-[(2-hydrazinylquinolin-3-yl)methyl-methylamino]-N-methylacetamide

2-[(2-hydrazinylquinolin-3-yl)methyl-methylamino]-N-methylacetamide (PubChem CID 62241968) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[(2-hydrazinylquinolin-3-yl)methyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-hydrazinylquinolin-3-yl)methyl-methylamino]-N-methylacetamide
PubChem CID62241968
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-[(2-hydrazinylquinolin-3-yl)methyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)Cc1cc2ccccc2nc1NN
InChIInChI=1S/C14H19N5O/c1-16-13(20)9-19(2)8-11-7-10-5-3-4-6-12(10)17-14(11)18-15/h3-7H,8-9,15H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyNYNQEYRHTLQKDY-UHFFFAOYSA-N
XLogP0.70
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.70
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 2-[(2-hydrazinylquinolin-3-yl)methyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-hydrazinylquinolin-3-yl)methyl-methylamino]-N-methylacetamide (CID 62241968) is 2-[(2-hydrazinylquinolin-3-yl)methyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-hydrazinylquinolin-3-yl)methyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-hydrazinylquinolin-3-yl)methyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)Cc1cc2ccccc2nc1NN.
What is the InChIKey of 2-[(2-hydrazinylquinolin-3-yl)methyl-methylamino]-N-methylacetamide?
The InChIKey is NYNQEYRHTLQKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-16-13(20)9-19(2)8-11-7-10-5-3-4-6-12(10)17-14(11)18-15/h3-7H,8-9,15H2,1-2H3,(H,16,20)(H,17,18).
What are the key properties of 2-[(2-hydrazinylquinolin-3-yl)methyl-methylamino]-N-methylacetamide?
2-[(2-hydrazinylquinolin-3-yl)methyl-methylamino]-N-methylacetamide has a molecular weight of 273.34 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydrazinylquinolin-3-yl)methyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 62241968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).