(3,6-dichloro-2-methoxyphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone

C20H18Cl2N4O2 — CID 108741343

IUPAC(3,6-dichloro-2-methoxyphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)N1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C20H18Cl2N4O2/c1-28-19-14(22)7-6-13(21)18(19)20(27)26-10-8-25(9-11-26)17-12-23-15-4-2-3-5-16(15)24-17/h2-7,12H,8-11H2,1H3
InChIKeyNZPGLFXJYSQOGS-UHFFFAOYSA-N
MW417.30 g/mol
LogP3.91
Rot. Bonds3

About (3,6-dichloro-2-methoxyphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone

(3,6-dichloro-2-methoxyphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone (PubChem CID 108741343) has the molecular formula C20H18Cl2N4O2 and a molecular weight of 417.30 g/mol. Its IUPAC name is (3,6-dichloro-2-methoxyphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3,6-dichloro-2-methoxyphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
PubChem CID108741343
Molecular FormulaC20H18Cl2N4O2
Molecular Weight417.30 g/mol
Exact Mass416.08
IUPAC Name(3,6-dichloro-2-methoxyphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)N1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C20H18Cl2N4O2/c1-28-19-14(22)7-6-13(21)18(19)20(27)26-10-8-25(9-11-26)17-12-23-15-4-2-3-5-16(15)24-17/h2-7,12H,8-11H2,1H3
InChIKeyNZPGLFXJYSQOGS-UHFFFAOYSA-N
XLogP3.91
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3,6-dichloro-2-methoxyphenyl)-(4-quinoxalin-2-ylpiperazin-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

(2-chloro-6-fluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741394
(2,5-dichlorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741335
(3,6-dichloro-2-methoxyphenyl)-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methanone
CID 108729933
(4-propan-2-ylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 36724322
(3,6-dichloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110755240
(3,4-dimethylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741382
2-bromo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
CID 108763902
3,4,5-trimethoxy-N-[2-oxo-2-(4-quinoxalin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 108763927
2-(3,4-dimethoxyphenyl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
CID 108741397
[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 108567728
(2,4-difluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741472
2-(4-propan-2-ylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
CID 108764012

Frequently Asked Questions

What is the IUPAC name of (3,6-dichloro-2-methoxyphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3,6-dichloro-2-methoxyphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone (CID 108741343) is (3,6-dichloro-2-methoxyphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3,6-dichloro-2-methoxyphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3,6-dichloro-2-methoxyphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone is COc1c(Cl)ccc(Cl)c1C(=O)N1CCN(c2cnc3ccccc3n2)CC1.
What is the InChIKey of (3,6-dichloro-2-methoxyphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone?
The InChIKey is NZPGLFXJYSQOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O2/c1-28-19-14(22)7-6-13(21)18(19)20(27)26-10-8-25(9-11-26)17-12-23-15-4-2-3-5-16(15)24-17/h2-7,12H,8-11H2,1H3.
What are the key properties of (3,6-dichloro-2-methoxyphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone?
(3,6-dichloro-2-methoxyphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone has a molecular weight of 417.30 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dichloro-2-methoxyphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 108741343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).