Nicafenine

2-(pyridine-3-carbonylamino)ethyl 2-[(7-chloroquinolin-4-yl)amino]benzoate

CAS: 64039-88-9

Molecular Formula	`C24H19ClN4O3`
Molecular Weight	446.9 g/mol
LogP	4.7
Topological Polar Surface Area	93.2 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	446.11456
Heavy Atoms	32
Complexity	636.0

Chemical Identifiers

CAS Number	64039-88-9
SMILES	`C1=CC=C(C(=C1)C(=O)OCCNC(=O)C2=CN=CC=C2)NC3=C4C=CC(=CC4=NC=C3)Cl`
InChIKey	`XHMFPDMOPBXSDM-UHFFFAOYSA-N`

📖 Product Overview

Nicafenine (CAS: 64039-88-9) is a chemical compound with molecular formula C24H19ClN4O3 and molecular weight 446.9 g/mol. Its IUPAC systematic name is 2-(pyridine-3-carbonylamino)ethyl 2-[(7-chloroquinolin-4-yl)amino]benzoate. LogP 4.7 Topological Polar Surface Area 93.2 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 8 Exact Mass 446.11456 Heavy Atoms 32 Complexity 636.0 InChI Key: XHMFPDMOPBXSDM-UHFFFAOYSA-N. SMILES: C1=CC=C(C(=C1)C(=O)OCCNC(=O)C2=CN=CC=C2)NC3=C4C=CC(=CC4=NC=C3)Cl.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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