N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(hydroxyamino)ethylidene]-3,5-dimethoxybenzamide

C24H26ClN5O4 — CID 146279274

IUPACN-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(hydroxyamino)ethylidene]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)/N=C/C(NO)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c1
InChIInChI=1S/C24H26ClN5O4/c1-33-18-11-16(12-19(14-18)34-2)24(31)27-15-23(28-32)30-9-7-29(8-10-30)22-5-6-26-21-13-17(25)3-4-20(21)22/h3-6,11-15,23,28,32H,7-10H2,1-2H3/b27-15+
InChIKeyRGPPDSCNSLMYBP-JFLMPSFJSA-N
MW483.96 g/mol
LogP3.24
Rot. Bonds7

About N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(hydroxyamino)ethylidene]-3,5-dimethoxybenzamide

N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(hydroxyamino)ethylidene]-3,5-dimethoxybenzamide (PubChem CID 146279274) has the molecular formula C24H26ClN5O4 and a molecular weight of 483.96 g/mol. Its IUPAC name is N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(hydroxyamino)ethylidene]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(hydroxyamino)ethylidene]-3,5-dimethoxybenzamide
PubChem CID146279274
Molecular FormulaC24H26ClN5O4
Molecular Weight483.96 g/mol
Exact Mass483.17
IUPAC NameN-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(hydroxyamino)ethylidene]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)/N=C/C(NO)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c1
InChIInChI=1S/C24H26ClN5O4/c1-33-18-11-16(12-19(14-18)34-2)24(31)27-15-23(28-32)30-9-7-29(8-10-30)22-5-6-26-21-13-17(25)3-4-20(21)22/h3-6,11-15,23,28,32H,7-10H2,1-2H3/b27-15+
InChIKeyRGPPDSCNSLMYBP-JFLMPSFJSA-N
XLogP3.24
TPSA99.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.96
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(hydroxyamino)ethylidene]-3,5-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(hydroxyamino)ethylidene]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(hydroxyamino)ethylidene]-3,5-dimethoxybenzamide (CID 146279274) is N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(hydroxyamino)ethylidene]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(hydroxyamino)ethylidene]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(hydroxyamino)ethylidene]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)/N=C/C(NO)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c1.
What is the InChIKey of N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(hydroxyamino)ethylidene]-3,5-dimethoxybenzamide?
The InChIKey is RGPPDSCNSLMYBP-JFLMPSFJSA-N. The full InChI is InChI=1S/C24H26ClN5O4/c1-33-18-11-16(12-19(14-18)34-2)24(31)27-15-23(28-32)30-9-7-29(8-10-30)22-5-6-26-21-13-17(25)3-4-20(21)22/h3-6,11-15,23,28,32H,7-10H2,1-2H3/b27-15+.
What are the key properties of N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(hydroxyamino)ethylidene]-3,5-dimethoxybenzamide?
N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(hydroxyamino)ethylidene]-3,5-dimethoxybenzamide has a molecular weight of 483.96 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(hydroxyamino)ethylidene]-3,5-dimethoxybenzamide is sourced from PubChem (CID 146279274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).