(3,4-dichlorophenyl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone

C20H16Cl2N4O3 — CID 2866417

IUPAC(3,4-dichlorophenyl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1
InChIInChI=1S/C20H16Cl2N4O3/c21-15-4-3-13(12-16(15)22)20(27)25-10-8-24(9-11-25)18-6-5-17(26(28)29)14-2-1-7-23-19(14)18/h1-7,12H,8-11H2
InChIKeyYCEJGRMFIFNIPY-UHFFFAOYSA-N
MW431.28 g/mol
LogP4.41
Rot. Bonds3

About (3,4-dichlorophenyl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone

(3,4-dichlorophenyl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone (PubChem CID 2866417) has the molecular formula C20H16Cl2N4O3 and a molecular weight of 431.28 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone
PubChem CID2866417
Molecular FormulaC20H16Cl2N4O3
Molecular Weight431.28 g/mol
Exact Mass430.06
IUPAC Name(3,4-dichlorophenyl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1
InChIInChI=1S/C20H16Cl2N4O3/c21-15-4-3-13(12-16(15)22)20(27)25-10-8-24(9-11-25)18-6-5-17(26(28)29)14-2-1-7-23-19(14)18/h1-7,12H,8-11H2
InChIKeyYCEJGRMFIFNIPY-UHFFFAOYSA-N
XLogP4.41
TPSA79.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.28
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3,4-dichlorophenyl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

(3,4-dimethoxyphenyl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone
CID 31662357
5-nitro-8-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 46238560
5-nitro-8-[4-(2-nitrophenyl)piperazin-1-yl]quinoline
CID 2868370
2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-5-nitrobenzonitrile
CID 56772537
5-nitro-8-piperidin-1-ylquinoline
CID 3124100
methyl 4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-3-nitrobenzoate
CID 2765770
4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenol
CID 30746841
5-nitro-8-(4-pyridin-2-ylpiperazin-1-yl)quinoline;bis(2,2,2-trifluoroacetic acid)
CID 46238557
[4-(2-chlorophenyl)piperazin-1-yl]-(3-methyl-4-nitrophenyl)methanone
CID 9082788
(3-chloro-4-pyrrolidin-1-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 131917647
4-(5-nitroquinolin-8-yl)piperazin-2-one
CID 46850818
(3-methyl-4-nitrophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 806858

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone (CID 2866417) is (3,4-dichlorophenyl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone?
The InChIKey is YCEJGRMFIFNIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O3/c21-15-4-3-13(12-16(15)22)20(27)25-10-8-24(9-11-25)18-6-5-17(26(28)29)14-2-1-7-23-19(14)18/h1-7,12H,8-11H2.
What are the key properties of (3,4-dichlorophenyl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone has a molecular weight of 431.28 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 2866417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).