7-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione

C20H18ClN3O3 — CID 171715862

IUPAC7-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione
SMILESCOc1cccc(N2CCN(C3=C(Cl)C(=O)c4ncccc4C3=O)CC2)c1
InChIInChI=1S/C20H18ClN3O3/c1-27-14-5-2-4-13(12-14)23-8-10-24(11-9-23)18-16(21)20(26)17-15(19(18)25)6-3-7-22-17/h2-7,12H,8-11H2,1H3
InChIKeyMZMGTERULOMZSL-UHFFFAOYSA-N
MW383.84 g/mol
LogP2.74
Rot. Bonds3

About 7-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione

7-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione (PubChem CID 171715862) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is 7-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione.

Molecular Properties

Compound Name7-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione
PubChem CID171715862
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name7-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione
SMILESCOc1cccc(N2CCN(C3=C(Cl)C(=O)c4ncccc4C3=O)CC2)c1
InChIInChI=1S/C20H18ClN3O3/c1-27-14-5-2-4-13(12-14)23-8-10-24(11-9-23)18-16(21)20(26)17-15(19(18)25)6-3-7-22-17/h2-7,12H,8-11H2,1H3
InChIKeyMZMGTERULOMZSL-UHFFFAOYSA-N
XLogP2.74
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

Analyze 7-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione 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

7-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione
CID 171715791
(2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 9372250
2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-3-amine
CID 19627773
1-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 154829029
2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 28792674
[2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methanamine
CID 43823491
4-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 133313294
3-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,5-thiadiazole
CID 43808214
5-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-2,1,3-benzothiadiazole-4,7-dione
CID 14350497
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
3-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]-1-(4-nitrophenyl)pyrrole-2,5-dione
CID 16654753
3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 163352079

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione?
The IUPAC name of 7-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione (CID 171715862) is 7-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione.
What is the SMILES notation for 7-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione?
The canonical SMILES for 7-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione is COc1cccc(N2CCN(C3=C(Cl)C(=O)c4ncccc4C3=O)CC2)c1.
What is the InChIKey of 7-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione?
The InChIKey is MZMGTERULOMZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-27-14-5-2-4-13(12-14)23-8-10-24(11-9-23)18-16(21)20(26)17-15(19(18)25)6-3-7-22-17/h2-7,12H,8-11H2,1H3.
What are the key properties of 7-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione?
7-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione has a molecular weight of 383.84 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione is sourced from PubChem (CID 171715862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).